2-N,2-N,3-trimethyl-1-N-[4-(2-methylbutan-2-yl)cyclohexyl]butane-1,2-diamine

C18H38N2 — CID 43094810

IUPAC2-N,2-N,3-trimethyl-1-N-[4-(2-methylbutan-2-yl)cyclohexyl]butane-1,2-diamine
SMILESCCC(C)(C)C1CCC(NCC(C(C)C)N(C)C)CC1
InChIInChI=1S/C18H38N2/c1-8-18(4,5)15-9-11-16(12-10-15)19-13-17(14(2)3)20(6)7/h14-17,19H,8-13H2,1-7H3
InChIKeyWYDHMKCPQSWFNR-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.16
Rot. Bonds7

About 2-N,2-N,3-trimethyl-1-N-[4-(2-methylbutan-2-yl)cyclohexyl]butane-1,2-diamine

2-N,2-N,3-trimethyl-1-N-[4-(2-methylbutan-2-yl)cyclohexyl]butane-1,2-diamine (PubChem CID 43094810) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 2-N,2-N,3-trimethyl-1-N-[4-(2-methylbutan-2-yl)cyclohexyl]butane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,3-trimethyl-1-N-[4-(2-methylbutan-2-yl)cyclohexyl]butane-1,2-diamine
PubChem CID43094810
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name2-N,2-N,3-trimethyl-1-N-[4-(2-methylbutan-2-yl)cyclohexyl]butane-1,2-diamine
SMILESCCC(C)(C)C1CCC(NCC(C(C)C)N(C)C)CC1
InChIInChI=1S/C18H38N2/c1-8-18(4,5)15-9-11-16(12-10-15)19-13-17(14(2)3)20(6)7/h14-17,19H,8-13H2,1-7H3
InChIKeyWYDHMKCPQSWFNR-UHFFFAOYSA-N
XLogP4.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-N,2-N,3-trimethyl-1-N-[4-(2-methylbutan-2-yl)cyclohexyl]butane-1,2-diamine with MolForge

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Related Compounds

2-N,2-N,3-trimethyl-1-N-(4-methylcyclohexyl)butane-1,2-diamine
CID 43205434
1-N-cyclohexyl-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205547
N-[4-(2-methylbutan-2-yl)cyclohexyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 29033402
4-methyl-2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]pentanoic acid
CID 122127731
4-(2-methylbutan-2-yl)-N-(2-methylpentan-3-yl)cyclohexan-1-amine
CID 43778905
4-(2-methylbutan-2-yl)-N-[(3-methylcyclopentyl)methyl]cyclohexan-1-amine
CID 107412240
1-N-cyclopropyl-2-N-ethyl-3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
CID 62427857
2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]ethanol
CID 43085230
N-(3-methoxy-3-methylbutyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 106675122
N-(3-methoxybutan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 113481634
4-tert-butyl-N-(2,3-dimethylbutyl)cyclohexan-1-amine
CID 64570673
N-(2-tert-butyl-3-methylpentyl)cyclopropanamine
CID 83138542

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,3-trimethyl-1-N-[4-(2-methylbutan-2-yl)cyclohexyl]butane-1,2-diamine?
The IUPAC name of 2-N,2-N,3-trimethyl-1-N-[4-(2-methylbutan-2-yl)cyclohexyl]butane-1,2-diamine (CID 43094810) is 2-N,2-N,3-trimethyl-1-N-[4-(2-methylbutan-2-yl)cyclohexyl]butane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,3-trimethyl-1-N-[4-(2-methylbutan-2-yl)cyclohexyl]butane-1,2-diamine?
The canonical SMILES for 2-N,2-N,3-trimethyl-1-N-[4-(2-methylbutan-2-yl)cyclohexyl]butane-1,2-diamine is CCC(C)(C)C1CCC(NCC(C(C)C)N(C)C)CC1.
What is the InChIKey of 2-N,2-N,3-trimethyl-1-N-[4-(2-methylbutan-2-yl)cyclohexyl]butane-1,2-diamine?
The InChIKey is WYDHMKCPQSWFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-8-18(4,5)15-9-11-16(12-10-15)19-13-17(14(2)3)20(6)7/h14-17,19H,8-13H2,1-7H3.
What are the key properties of 2-N,2-N,3-trimethyl-1-N-[4-(2-methylbutan-2-yl)cyclohexyl]butane-1,2-diamine?
2-N,2-N,3-trimethyl-1-N-[4-(2-methylbutan-2-yl)cyclohexyl]butane-1,2-diamine has a molecular weight of 282.52 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,3-trimethyl-1-N-[4-(2-methylbutan-2-yl)cyclohexyl]butane-1,2-diamine is sourced from PubChem (CID 43094810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).