2-methyl-1-N-[(1-methylcyclohexyl)methyl]heptane-1,6-diamine

C16H34N2 — CID 114094981

IUPAC2-methyl-1-N-[(1-methylcyclohexyl)methyl]heptane-1,6-diamine
SMILESCC(N)CCCC(C)CNCC1(C)CCCCC1
InChIInChI=1S/C16H34N2/c1-14(8-7-9-15(2)17)12-18-13-16(3)10-5-4-6-11-16/h14-15,18H,4-13,17H2,1-3H3
InChIKeyGBLRZMCYHUGKLX-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.70
Rot. Bonds8

About 2-methyl-1-N-[(1-methylcyclohexyl)methyl]heptane-1,6-diamine

2-methyl-1-N-[(1-methylcyclohexyl)methyl]heptane-1,6-diamine (PubChem CID 114094981) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 2-methyl-1-N-[(1-methylcyclohexyl)methyl]heptane-1,6-diamine.

Molecular Properties

Compound Name2-methyl-1-N-[(1-methylcyclohexyl)methyl]heptane-1,6-diamine
PubChem CID114094981
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name2-methyl-1-N-[(1-methylcyclohexyl)methyl]heptane-1,6-diamine
SMILESCC(N)CCCC(C)CNCC1(C)CCCCC1
InChIInChI=1S/C16H34N2/c1-14(8-7-9-15(2)17)12-18-13-16(3)10-5-4-6-11-16/h14-15,18H,4-13,17H2,1-3H3
InChIKeyGBLRZMCYHUGKLX-UHFFFAOYSA-N
XLogP3.70
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(1-methylcyclopentyl)methyl]propane-1,2-diamine
CID 63831246
2-methyl-1-N-(1-methylcyclopentyl)heptane-1,6-diamine
CID 65296202
N-ethyl-2-methyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine
CID 63829803
2-methyl-N-[(1-methylcyclobutyl)methyl]propan-1-amine
CID 65196169
3,3-dimethyl-1-N-[(1-methylcyclopentyl)methyl]butane-1,2-diamine
CID 112556001
2-methyl-N-[(1-methylcyclopropyl)methyl]butan-1-amine
CID 103897149
N'-[(1-methylcyclohexyl)methyl]-N-(2-methylpropyl)ethane-1,2-diamine
CID 106827227
2-methyl-3-[(1-methylcyclopentyl)methylamino]propanoic acid
CID 63821690
2-methoxy-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine
CID 106114849
2-methyl-N-(1-methylcyclohexyl)pentane-1,5-diamine
CID 104682093
3-amino-2-methyl-N-[(1-methylcyclohexyl)methyl]butanamide
CID 103581061
(1-methylcyclotridecyl)methylhydrazine
CID 154988457

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-N-[(1-methylcyclohexyl)methyl]heptane-1,6-diamine?
The IUPAC name of 2-methyl-1-N-[(1-methylcyclohexyl)methyl]heptane-1,6-diamine (CID 114094981) is 2-methyl-1-N-[(1-methylcyclohexyl)methyl]heptane-1,6-diamine.
What is the SMILES notation for 2-methyl-1-N-[(1-methylcyclohexyl)methyl]heptane-1,6-diamine?
The canonical SMILES for 2-methyl-1-N-[(1-methylcyclohexyl)methyl]heptane-1,6-diamine is CC(N)CCCC(C)CNCC1(C)CCCCC1.
What is the InChIKey of 2-methyl-1-N-[(1-methylcyclohexyl)methyl]heptane-1,6-diamine?
The InChIKey is GBLRZMCYHUGKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-14(8-7-9-15(2)17)12-18-13-16(3)10-5-4-6-11-16/h14-15,18H,4-13,17H2,1-3H3.
What are the key properties of 2-methyl-1-N-[(1-methylcyclohexyl)methyl]heptane-1,6-diamine?
2-methyl-1-N-[(1-methylcyclohexyl)methyl]heptane-1,6-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N-[(1-methylcyclohexyl)methyl]heptane-1,6-diamine is sourced from PubChem (CID 114094981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).