4-cyclopentyl-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine

C13H28N2 — CID 115346595

IUPAC4-cyclopentyl-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCCNC(CCN(C)C)CC1CCCC1
InChIInChI=1S/C13H28N2/c1-4-14-13(9-10-15(2)3)11-12-7-5-6-8-12/h12-14H,4-11H2,1-3H3
InChIKeyOCADJFFCSUXVSP-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.50
Rot. Bonds7

About 4-cyclopentyl-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine

4-cyclopentyl-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine (PubChem CID 115346595) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 4-cyclopentyl-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name4-cyclopentyl-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine
PubChem CID115346595
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name4-cyclopentyl-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCCNC(CCN(C)C)CC1CCCC1
InChIInChI=1S/C13H28N2/c1-4-14-13(9-10-15(2)3)11-12-7-5-6-8-12/h12-14H,4-11H2,1-3H3
InChIKeyOCADJFFCSUXVSP-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dicyclopentyl-N-ethylpropan-2-amine
CID 115847226
1-cyclobutyl-3-cyclopentyl-N-ethylpropan-2-amine
CID 115863503
1-cycloheptyl-3-cyclopropyl-N-ethylpropan-2-amine
CID 104986481
1-cyclohexyl-N-ethylheptan-2-amine
CID 115837188
1-cyclopentyl-N-ethyl-4-methylsulfanylbutan-2-amine
CID 105138985
1-cyclobutyl-N-ethyl-5-methylhexan-2-amine
CID 65458371
1-cyclopentyl-N-ethyl-5-methoxyhexan-2-amine
CID 105138937
1-cycloheptyl-N-ethyl-5-methylhex-5-en-2-amine
CID 105039575
4-(2-bicyclo[2.2.1]heptanyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine
CID 113291286
1-cyclopentyl-3-[4-(dimethylamino)butan-2-ylamino]propan-2-ol
CID 103157536
1-cyclopropyl-N-ethyl-5-methylhexan-2-amine
CID 64906798
1-cyclopentyl-N-ethyl-4-methylhexan-2-amine
CID 115846177

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine?
The IUPAC name of 4-cyclopentyl-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine (CID 115346595) is 4-cyclopentyl-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 4-cyclopentyl-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 4-cyclopentyl-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine is CCNC(CCN(C)C)CC1CCCC1.
What is the InChIKey of 4-cyclopentyl-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine?
The InChIKey is OCADJFFCSUXVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-14-13(9-10-15(2)3)11-12-7-5-6-8-12/h12-14H,4-11H2,1-3H3.
What are the key properties of 4-cyclopentyl-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine?
4-cyclopentyl-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 115346595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).