2-N,2-N-diethyl-1-N-(2-methylcyclopentyl)propane-1,2-diamine

C13H28N2 — CID 115688826

IUPAC2-N,2-N-diethyl-1-N-(2-methylcyclopentyl)propane-1,2-diamine
SMILESCCN(CC)C(C)CNC1CCCC1C
InChIInChI=1S/C13H28N2/c1-5-15(6-2)12(4)10-14-13-9-7-8-11(13)3/h11-14H,5-10H2,1-4H3
InChIKeyKCBPYTBPDAFZAE-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.49
Rot. Bonds6

About 2-N,2-N-diethyl-1-N-(2-methylcyclopentyl)propane-1,2-diamine

2-N,2-N-diethyl-1-N-(2-methylcyclopentyl)propane-1,2-diamine (PubChem CID 115688826) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-N,2-N-diethyl-1-N-(2-methylcyclopentyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-1-N-(2-methylcyclopentyl)propane-1,2-diamine
PubChem CID115688826
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2-N,2-N-diethyl-1-N-(2-methylcyclopentyl)propane-1,2-diamine
SMILESCCN(CC)C(C)CNC1CCCC1C
InChIInChI=1S/C13H28N2/c1-5-15(6-2)12(4)10-14-13-9-7-8-11(13)3/h11-14H,5-10H2,1-4H3
InChIKeyKCBPYTBPDAFZAE-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-N-diethyl-1-N-(2-ethylcyclopentyl)propane-1,2-diamine
CID 115708738
(2R)-1-[[(1R,2R)-2-methylcyclopentyl]amino]propan-2-ol
CID 95377482
(2S)-1-[(2-methylcyclopentyl)amino]propan-2-ol
CID 103884041
trans-(1R,2R)-N-ethyl-2-methylcyclopentan-1-amine
CID 71351363
2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-[(2-methylcyclohexyl)amino]ethyl]propane-1,2-diamine
CID 103191827
N-(3-methoxy-2-methylpropyl)-2-methylcyclopentan-1-amine
CID 65045798
2-N,2-N,3-trimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine
CID 43205442
2-methyl-N-(3-methylbutyl)cyclopentan-1-amine
CID 63277629
ethanol;2-methyl-N-propylcyclopentan-1-amine
CID 89249243
N-(2-ethylhexyl)-2-methylcyclopentan-1-amine
CID 63492296
N-(2-methylcyclopentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 65046367
N'-hydroxy-2-methyl-3-[(2-methylcyclopentyl)amino]propanimidamide
CID 77028700

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-1-N-(2-methylcyclopentyl)propane-1,2-diamine?
The IUPAC name of 2-N,2-N-diethyl-1-N-(2-methylcyclopentyl)propane-1,2-diamine (CID 115688826) is 2-N,2-N-diethyl-1-N-(2-methylcyclopentyl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-1-N-(2-methylcyclopentyl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-N-diethyl-1-N-(2-methylcyclopentyl)propane-1,2-diamine is CCN(CC)C(C)CNC1CCCC1C.
What is the InChIKey of 2-N,2-N-diethyl-1-N-(2-methylcyclopentyl)propane-1,2-diamine?
The InChIKey is KCBPYTBPDAFZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-15(6-2)12(4)10-14-13-9-7-8-11(13)3/h11-14H,5-10H2,1-4H3.
What are the key properties of 2-N,2-N-diethyl-1-N-(2-methylcyclopentyl)propane-1,2-diamine?
2-N,2-N-diethyl-1-N-(2-methylcyclopentyl)propane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-1-N-(2-methylcyclopentyl)propane-1,2-diamine is sourced from PubChem (CID 115688826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).