2-methyl-1-N-(1-methylcyclopentyl)heptane-1,6-diamine

C14H30N2 — CID 65296202

IUPAC2-methyl-1-N-(1-methylcyclopentyl)heptane-1,6-diamine
SMILESCC(N)CCCC(C)CNC1(C)CCCC1
InChIInChI=1S/C14H30N2/c1-12(7-6-8-13(2)15)11-16-14(3)9-4-5-10-14/h12-13,16H,4-11,15H2,1-3H3
InChIKeyLUJAVJWQKFBWGN-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.06
Rot. Bonds7

About 2-methyl-1-N-(1-methylcyclopentyl)heptane-1,6-diamine

2-methyl-1-N-(1-methylcyclopentyl)heptane-1,6-diamine (PubChem CID 65296202) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2-methyl-1-N-(1-methylcyclopentyl)heptane-1,6-diamine.

Molecular Properties

Compound Name2-methyl-1-N-(1-methylcyclopentyl)heptane-1,6-diamine
PubChem CID65296202
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2-methyl-1-N-(1-methylcyclopentyl)heptane-1,6-diamine
SMILESCC(N)CCCC(C)CNC1(C)CCCC1
InChIInChI=1S/C14H30N2/c1-12(7-6-8-13(2)15)11-16-14(3)9-4-5-10-14/h12-13,16H,4-11,15H2,1-3H3
InChIKeyLUJAVJWQKFBWGN-UHFFFAOYSA-N
XLogP3.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-N-(1-methylcyclopentyl)heptane-1,6-diamine?
The IUPAC name of 2-methyl-1-N-(1-methylcyclopentyl)heptane-1,6-diamine (CID 65296202) is 2-methyl-1-N-(1-methylcyclopentyl)heptane-1,6-diamine.
What is the SMILES notation for 2-methyl-1-N-(1-methylcyclopentyl)heptane-1,6-diamine?
The canonical SMILES for 2-methyl-1-N-(1-methylcyclopentyl)heptane-1,6-diamine is CC(N)CCCC(C)CNC1(C)CCCC1.
What is the InChIKey of 2-methyl-1-N-(1-methylcyclopentyl)heptane-1,6-diamine?
The InChIKey is LUJAVJWQKFBWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-12(7-6-8-13(2)15)11-16-14(3)9-4-5-10-14/h12-13,16H,4-11,15H2,1-3H3.
What are the key properties of 2-methyl-1-N-(1-methylcyclopentyl)heptane-1,6-diamine?
2-methyl-1-N-(1-methylcyclopentyl)heptane-1,6-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.06, 7 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-methylcyclopentyl)heptane-1,6-diamine is sourced from PubChem (CID 65296202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).