1-N-cycloheptyl-3-methylpentane-1,2-diamine

C13H28N2 — CID 61150855

IUPAC1-N-cycloheptyl-3-methylpentane-1,2-diamine
SMILESCCC(C)C(N)CNC1CCCCCC1
InChIInChI=1S/C13H28N2/c1-3-11(2)13(14)10-15-12-8-6-4-5-7-9-12/h11-13,15H,3-10,14H2,1-2H3
InChIKeyQUTZBFGBBFJGPF-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.67
Rot. Bonds5

About 1-N-cycloheptyl-3-methylpentane-1,2-diamine

1-N-cycloheptyl-3-methylpentane-1,2-diamine (PubChem CID 61150855) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-N-cycloheptyl-3-methylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-cycloheptyl-3-methylpentane-1,2-diamine
PubChem CID61150855
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-N-cycloheptyl-3-methylpentane-1,2-diamine
SMILESCCC(C)C(N)CNC1CCCCCC1
InChIInChI=1S/C13H28N2/c1-3-11(2)13(14)10-15-12-8-6-4-5-7-9-12/h11-13,15H,3-10,14H2,1-2H3
InChIKeyQUTZBFGBBFJGPF-UHFFFAOYSA-N
XLogP2.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-cyclododecylbutane-1,2-diamine
CID 83958083
N-(2-methylbutyl)cyclopentanamine
CID 43200714
(2S)-1-N-cyclobutylbutane-1,2-diamine
CID 94424015
N-(2-ethoxypropyl)cyclooctanamine
CID 115724296
1-N-(2-methoxycyclopentyl)-3-methylpentane-1,2-diamine
CID 62088069
N-[(2S)-2,3-dimethylbutyl]cyclopentanamine
CID 59085010
ethane;N-(2-methylpropyl)cyclopentanamine
CID 156893756
1-N-cyclohexyl-3-methoxypropane-1,2-diamine
CID 81101146
1-(cycloheptylamino)propan-2-ol
CID 43392225
1-(cyclooctylamino)propan-2-ol
CID 20539535
1-N-(cyclopropylmethyl)-3-methylpentane-1,2-diamine
CID 61150629
methanol;N-(2-methylpropyl)cyclopentanamine
CID 166557930

Frequently Asked Questions

What is the IUPAC name of 1-N-cycloheptyl-3-methylpentane-1,2-diamine?
The IUPAC name of 1-N-cycloheptyl-3-methylpentane-1,2-diamine (CID 61150855) is 1-N-cycloheptyl-3-methylpentane-1,2-diamine.
What is the SMILES notation for 1-N-cycloheptyl-3-methylpentane-1,2-diamine?
The canonical SMILES for 1-N-cycloheptyl-3-methylpentane-1,2-diamine is CCC(C)C(N)CNC1CCCCCC1.
What is the InChIKey of 1-N-cycloheptyl-3-methylpentane-1,2-diamine?
The InChIKey is QUTZBFGBBFJGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-3-11(2)13(14)10-15-12-8-6-4-5-7-9-12/h11-13,15H,3-10,14H2,1-2H3.
What are the key properties of 1-N-cycloheptyl-3-methylpentane-1,2-diamine?
1-N-cycloheptyl-3-methylpentane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cycloheptyl-3-methylpentane-1,2-diamine is sourced from PubChem (CID 61150855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).