1-N-cyclopentyl-1-N-ethyl-4-methylpentane-1,2-diamine

C13H28N2 — CID 43541297

IUPAC1-N-cyclopentyl-1-N-ethyl-4-methylpentane-1,2-diamine
SMILESCCN(CC(N)CC(C)C)C1CCCC1
InChIInChI=1S/C13H28N2/c1-4-15(13-7-5-6-8-13)10-12(14)9-11(2)3/h11-13H,4-10,14H2,1-3H3
InChIKeyGXRNAZUONXUKFG-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.62
Rot. Bonds6

About 1-N-cyclopentyl-1-N-ethyl-4-methylpentane-1,2-diamine

1-N-cyclopentyl-1-N-ethyl-4-methylpentane-1,2-diamine (PubChem CID 43541297) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-N-cyclopentyl-1-N-ethyl-4-methylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopentyl-1-N-ethyl-4-methylpentane-1,2-diamine
PubChem CID43541297
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-N-cyclopentyl-1-N-ethyl-4-methylpentane-1,2-diamine
SMILESCCN(CC(N)CC(C)C)C1CCCC1
InChIInChI=1S/C13H28N2/c1-4-15(13-7-5-6-8-13)10-12(14)9-11(2)3/h11-13H,4-10,14H2,1-3H3
InChIKeyGXRNAZUONXUKFG-UHFFFAOYSA-N
XLogP2.62
TPSA29.26 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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-cyclohexyl-1-N-ethylbutane-1,2-diamine
CID 43649724
1-N-cyclopropyl-1-N-ethylbutane-1,2-diamine
CID 43649749
N',1-dicyclopentyl-N'-ethylethane-1,2-diamine
CID 104744779
1-cyclohexyl-N'-cyclopentyl-N'-ethylethane-1,2-diamine
CID 104744777
1-amino-3-[cyclopentyl(ethyl)amino]propan-2-ol
CID 43541005
1-N-cyclopropyl-1-N-ethylpentane-1,2-diamine
CID 43650458
N'-cyclopentyl-N'-ethyl-2-propan-2-ylpropane-1,3-diamine
CID 65228278
N,N-diethylcycloundecanamine
CID 163828609
N'-cyclohexyl-N'-ethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 43108213
1-[cyclopentyl(ethyl)amino]butan-2-ol
CID 60886562
(2R)-1-N,1-N-diethyl-4-methylpentane-1,2-diamine
CID 28596904
3-[cyclohexyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 43367909

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopentyl-1-N-ethyl-4-methylpentane-1,2-diamine?
The IUPAC name of 1-N-cyclopentyl-1-N-ethyl-4-methylpentane-1,2-diamine (CID 43541297) is 1-N-cyclopentyl-1-N-ethyl-4-methylpentane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopentyl-1-N-ethyl-4-methylpentane-1,2-diamine?
The canonical SMILES for 1-N-cyclopentyl-1-N-ethyl-4-methylpentane-1,2-diamine is CCN(CC(N)CC(C)C)C1CCCC1.
What is the InChIKey of 1-N-cyclopentyl-1-N-ethyl-4-methylpentane-1,2-diamine?
The InChIKey is GXRNAZUONXUKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-15(13-7-5-6-8-13)10-12(14)9-11(2)3/h11-13H,4-10,14H2,1-3H3.
What are the key properties of 1-N-cyclopentyl-1-N-ethyl-4-methylpentane-1,2-diamine?
1-N-cyclopentyl-1-N-ethyl-4-methylpentane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopentyl-1-N-ethyl-4-methylpentane-1,2-diamine is sourced from PubChem (CID 43541297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).