2-N-cycloheptyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine

C17H36N2 — CID 114867745

IUPAC2-N-cycloheptyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine
SMILESCC(C)CC(CN)(CC(C)C)NC1CCCCCC1
InChIInChI=1S/C17H36N2/c1-14(2)11-17(13-18,12-15(3)4)19-16-9-7-5-6-8-10-16/h14-16,19H,5-13,18H2,1-4H3
InChIKeyLJMSCHDZVWHQRI-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.09
Rot. Bonds7

About 2-N-cycloheptyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine

2-N-cycloheptyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine (PubChem CID 114867745) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 2-N-cycloheptyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N-cycloheptyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine
PubChem CID114867745
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name2-N-cycloheptyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine
SMILESCC(C)CC(CN)(CC(C)C)NC1CCCCCC1
InChIInChI=1S/C17H36N2/c1-14(2)11-17(13-18,12-15(3)4)19-16-9-7-5-6-8-10-16/h14-16,19H,5-13,18H2,1-4H3
InChIKeyLJMSCHDZVWHQRI-UHFFFAOYSA-N
XLogP4.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylamino)-4-methyl-2-(2-methylpropyl)pentan-1-ol
CID 114868630
2-N-cycloheptyl-4,4-dimethoxy-2-methylbutane-1,2-diamine
CID 66179237
2-N-cyclopentyl-4,4-dimethoxy-2-methylbutane-1,2-diamine
CID 66179630
ethyl 2-(cyclopentylamino)-4-methyl-2-(2-methylpropyl)pentanoate
CID 114868165
N-(2,3-dimethylbutan-2-yl)cyclohexanamine
CID 89164056
1-N',1-N",2-N-tricyclohexylpropane-1,1,1,2-tetramine
CID 87082374
2-(2,2-dimethylhydrazinyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine
CID 114867859
2-N-cyclohexyl-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831506
N-(1-amino-2,4-dimethylpentan-2-yl)cycloheptanecarboxamide;hydrochloride
CID 119599741
(2S)-2-cyclohexyl-3-methylbutan-1-amine
CID 96739435
N-propan-2-ylcycloheptanamine
CID 42562651
N-(1-chloro-2-methylbutan-2-yl)cyclohexanamine
CID 82937345

Frequently Asked Questions

What is the IUPAC name of 2-N-cycloheptyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine?
The IUPAC name of 2-N-cycloheptyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine (CID 114867745) is 2-N-cycloheptyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine.
What is the SMILES notation for 2-N-cycloheptyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine?
The canonical SMILES for 2-N-cycloheptyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine is CC(C)CC(CN)(CC(C)C)NC1CCCCCC1.
What is the InChIKey of 2-N-cycloheptyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine?
The InChIKey is LJMSCHDZVWHQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-14(2)11-17(13-18,12-15(3)4)19-16-9-7-5-6-8-10-16/h14-16,19H,5-13,18H2,1-4H3.
What are the key properties of 2-N-cycloheptyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine?
2-N-cycloheptyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine has a molecular weight of 268.49 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cycloheptyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine is sourced from PubChem (CID 114867745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).