N-[4-(2-methylbutan-2-yl)cyclohexyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine

C19H40N2 — CID 29033402

IUPACN-[4-(2-methylbutan-2-yl)cyclohexyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCCC(C)(C)C1CCC(NCCN(C(C)C)C(C)C)CC1
InChIInChI=1S/C19H40N2/c1-8-19(6,7)17-9-11-18(12-10-17)20-13-14-21(15(2)3)16(4)5/h15-18,20H,8-14H2,1-7H3
InChIKeyHKINKFLPXWQAMM-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.69
Rot. Bonds8

About N-[4-(2-methylbutan-2-yl)cyclohexyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-[4-(2-methylbutan-2-yl)cyclohexyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 29033402) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is N-[4-(2-methylbutan-2-yl)cyclohexyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[4-(2-methylbutan-2-yl)cyclohexyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID29033402
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC NameN-[4-(2-methylbutan-2-yl)cyclohexyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCCC(C)(C)C1CCC(NCCN(C(C)C)C(C)C)CC1
InChIInChI=1S/C19H40N2/c1-8-19(6,7)17-9-11-18(12-10-17)20-13-14-21(15(2)3)16(4)5/h15-18,20H,8-14H2,1-7H3
InChIKeyHKINKFLPXWQAMM-UHFFFAOYSA-N
XLogP4.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[4-(2-methylbutan-2-yl)cyclohexyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine with MolForge

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Related Compounds

2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]ethanol
CID 43085230
N-(2-cyclohexylethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63448545
N-(1,1-dioxothian-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43511440
N-cyclopropyl-N',N'-di(propan-2-yl)propane-1,3-diamine
CID 165455015
N-(oxan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43608333
2-N,2-N,3-trimethyl-1-N-[4-(2-methylbutan-2-yl)cyclohexyl]butane-1,2-diamine
CID 43094810
4-(2-methylbutan-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexan-1-amine
CID 115653405
N-(3-methoxy-3-methylbutyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 106675122
3-(cyclopropylamino)-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 60867060
N-(3-methoxybutan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 113481634
methyl 4-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]butanoate
CID 60782419
N-[(1R)-1-cyclopentylethyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 81396402

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylbutan-2-yl)cyclohexyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-[4-(2-methylbutan-2-yl)cyclohexyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 29033402) is N-[4-(2-methylbutan-2-yl)cyclohexyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-[4-(2-methylbutan-2-yl)cyclohexyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-[4-(2-methylbutan-2-yl)cyclohexyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine is CCC(C)(C)C1CCC(NCCN(C(C)C)C(C)C)CC1.
What is the InChIKey of N-[4-(2-methylbutan-2-yl)cyclohexyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is HKINKFLPXWQAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-8-19(6,7)17-9-11-18(12-10-17)20-13-14-21(15(2)3)16(4)5/h15-18,20H,8-14H2,1-7H3.
What are the key properties of N-[4-(2-methylbutan-2-yl)cyclohexyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-[4-(2-methylbutan-2-yl)cyclohexyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 296.54 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylbutan-2-yl)cyclohexyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 29033402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).