5-N-tert-butyl-2-N-[5-[tert-butyl(cyclobutyl)amino]-2,5-dimethylhexan-2-yl]-5-N-cyclohexyl-2-N-cyclopentyl-2,5-dimethylhexane-2,5-diamine

C39H77N3 — CID 139305822

IUPAC5-N-tert-butyl-2-N-[5-[tert-butyl(cyclobutyl)amino]-2,5-dimethylhexan-2-yl]-5-N-cyclohexyl-2-N-cyclopentyl-2,5-dimethylhexane-2,5-diamine
SMILESCC(C)(C)N(C1CCCCC1)C(C)(C)CCC(C)(C)N(C1CCCC1)C(C)(C)CCC(C)(C)N(C1CCC1)C(C)(C)C
InChIInChI=1S/C39H77N3/c1-34(2,3)40(31-21-16-15-17-22-31)36(7,8)27-29-38(11,12)42(33-23-18-19-24-33)39(13,14)30-28-37(9,10)41(35(4,5)6)32-25-20-26-32/h31-33H,15-30H2,1-14H3
InChIKeyRBDHHJSDELCMRD-UHFFFAOYSA-N
MW588.07 g/mol
LogP10.99
Rot. Bonds13

About 5-N-tert-butyl-2-N-[5-[tert-butyl(cyclobutyl)amino]-2,5-dimethylhexan-2-yl]-5-N-cyclohexyl-2-N-cyclopentyl-2,5-dimethylhexane-2,5-diamine

5-N-tert-butyl-2-N-[5-[tert-butyl(cyclobutyl)amino]-2,5-dimethylhexan-2-yl]-5-N-cyclohexyl-2-N-cyclopentyl-2,5-dimethylhexane-2,5-diamine (PubChem CID 139305822) has the molecular formula C39H77N3 and a molecular weight of 588.07 g/mol. Its IUPAC name is 5-N-tert-butyl-2-N-[5-[tert-butyl(cyclobutyl)amino]-2,5-dimethylhexan-2-yl]-5-N-cyclohexyl-2-N-cyclopentyl-2,5-dimethylhexane-2,5-diamine.

Molecular Properties

Compound Name5-N-tert-butyl-2-N-[5-[tert-butyl(cyclobutyl)amino]-2,5-dimethylhexan-2-yl]-5-N-cyclohexyl-2-N-cyclopentyl-2,5-dimethylhexane-2,5-diamine
PubChem CID139305822
Molecular FormulaC39H77N3
Molecular Weight588.07 g/mol
Exact Mass587.61
IUPAC Name5-N-tert-butyl-2-N-[5-[tert-butyl(cyclobutyl)amino]-2,5-dimethylhexan-2-yl]-5-N-cyclohexyl-2-N-cyclopentyl-2,5-dimethylhexane-2,5-diamine
SMILESCC(C)(C)N(C1CCCCC1)C(C)(C)CCC(C)(C)N(C1CCCC1)C(C)(C)CCC(C)(C)N(C1CCC1)C(C)(C)C
InChIInChI=1S/C39H77N3/c1-34(2,3)40(31-21-16-15-17-22-31)36(7,8)27-29-38(11,12)42(33-23-18-19-24-33)39(13,14)30-28-37(9,10)41(35(4,5)6)32-25-20-26-32/h31-33H,15-30H2,1-14H3
InChIKeyRBDHHJSDELCMRD-UHFFFAOYSA-N
XLogP10.99
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.07
LogP ≤ 510.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-N-tert-butyl-2-N-[5-[tert-butyl(cyclobutyl)amino]-2,5-dimethylhexan-2-yl]-5-N-cyclohexyl-2-N-cyclopentyl-2,5-dimethylhexane-2,5-diamine with MolForge

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Launch Full Analysis

Related Compounds

N-tert-butyl-N-cyclopentylthiohydroxylamine
CID 130247100
2-N-cyclohexyl-2-N-ethyl-2,5-dimethylhexane-1,2-diamine
CID 43409655
N-methyl-N-(2-methylbutan-2-yl)cyclohexanamine
CID 126515554
N-tert-butyl-N-cycloheptylhydroxylamine
CID 121217843
2-N-cyclopentyl-2-N,2,5-trimethylhexane-1,2-diamine
CID 43267042
N,N-dicyclohexylcyclohexanamine
CID 175770337
2-N-cyclopentyl-2-N-ethyl-2,5-dimethylhexane-1,2-diamine
CID 43540970
2-N-cycloheptyl-2-N,2-dimethylnonane-1,2-diamine
CID 43613910
N-(3-bromo-2,2-dimethylpropyl)-N-cyclohexylcyclohexanamine
CID 65000034
N-cycloheptyl-5-(2-methylbutan-2-yl)-N-[5-(2-methylbutan-2-yl)cyclooctyl]cyclononan-1-amine
CID 134369025
N-tert-butyl-N-(2-silylethylsilyl)cyclohexanamine
CID 123942533
1-N,1-N-dicyclohexyl-2-methylpentane-1,2-diamine
CID 60853322

Frequently Asked Questions

What is the IUPAC name of 5-N-tert-butyl-2-N-[5-[tert-butyl(cyclobutyl)amino]-2,5-dimethylhexan-2-yl]-5-N-cyclohexyl-2-N-cyclopentyl-2,5-dimethylhexane-2,5-diamine?
The IUPAC name of 5-N-tert-butyl-2-N-[5-[tert-butyl(cyclobutyl)amino]-2,5-dimethylhexan-2-yl]-5-N-cyclohexyl-2-N-cyclopentyl-2,5-dimethylhexane-2,5-diamine (CID 139305822) is 5-N-tert-butyl-2-N-[5-[tert-butyl(cyclobutyl)amino]-2,5-dimethylhexan-2-yl]-5-N-cyclohexyl-2-N-cyclopentyl-2,5-dimethylhexane-2,5-diamine.
What is the SMILES notation for 5-N-tert-butyl-2-N-[5-[tert-butyl(cyclobutyl)amino]-2,5-dimethylhexan-2-yl]-5-N-cyclohexyl-2-N-cyclopentyl-2,5-dimethylhexane-2,5-diamine?
The canonical SMILES for 5-N-tert-butyl-2-N-[5-[tert-butyl(cyclobutyl)amino]-2,5-dimethylhexan-2-yl]-5-N-cyclohexyl-2-N-cyclopentyl-2,5-dimethylhexane-2,5-diamine is CC(C)(C)N(C1CCCCC1)C(C)(C)CCC(C)(C)N(C1CCCC1)C(C)(C)CCC(C)(C)N(C1CCC1)C(C)(C)C.
What is the InChIKey of 5-N-tert-butyl-2-N-[5-[tert-butyl(cyclobutyl)amino]-2,5-dimethylhexan-2-yl]-5-N-cyclohexyl-2-N-cyclopentyl-2,5-dimethylhexane-2,5-diamine?
The InChIKey is RBDHHJSDELCMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H77N3/c1-34(2,3)40(31-21-16-15-17-22-31)36(7,8)27-29-38(11,12)42(33-23-18-19-24-33)39(13,14)30-28-37(9,10)41(35(4,5)6)32-25-20-26-32/h31-33H,15-30H2,1-14H3.
What are the key properties of 5-N-tert-butyl-2-N-[5-[tert-butyl(cyclobutyl)amino]-2,5-dimethylhexan-2-yl]-5-N-cyclohexyl-2-N-cyclopentyl-2,5-dimethylhexane-2,5-diamine?
5-N-tert-butyl-2-N-[5-[tert-butyl(cyclobutyl)amino]-2,5-dimethylhexan-2-yl]-5-N-cyclohexyl-2-N-cyclopentyl-2,5-dimethylhexane-2,5-diamine has a molecular weight of 588.07 g/mol, XLogP of 10.99, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-tert-butyl-2-N-[5-[tert-butyl(cyclobutyl)amino]-2,5-dimethylhexan-2-yl]-5-N-cyclohexyl-2-N-cyclopentyl-2,5-dimethylhexane-2,5-diamine is sourced from PubChem (CID 139305822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).