N-(cyclopentylmethyl)-2-ethylbutan-1-amine

C12H25N — CID 43317342

IUPACN-(cyclopentylmethyl)-2-ethylbutan-1-amine
SMILESCCC(CC)CNCC1CCCC1
InChIInChI=1S/C12H25N/c1-3-11(4-2)9-13-10-12-7-5-6-8-12/h11-13H,3-10H2,1-2H3
InChIKeyZRDOKMVCAMDBFN-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.20
Rot. Bonds6

About N-(cyclopentylmethyl)-2-ethylbutan-1-amine

N-(cyclopentylmethyl)-2-ethylbutan-1-amine (PubChem CID 43317342) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-ethylbutan-1-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-ethylbutan-1-amine
PubChem CID43317342
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-(cyclopentylmethyl)-2-ethylbutan-1-amine
SMILESCCC(CC)CNCC1CCCC1
InChIInChI=1S/C12H25N/c1-3-11(4-2)9-13-10-12-7-5-6-8-12/h11-13H,3-10H2,1-2H3
InChIKeyZRDOKMVCAMDBFN-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclopentylmethyl)-2-methylbutan-1-amine
CID 43370775
N-(2-cyclopentylethyl)-2-ethylbutan-1-amine
CID 60732890
2-chloro-N-(cyclopentylmethyl)propan-1-amine
CID 65024059
N-[(2-chlorocyclohexyl)methyl]-2-ethylbutan-1-amine
CID 82925040
1-N-(cyclopentylmethyl)propane-1,2-diamine
CID 115196604
N-(cyclopropylmethyl)-4-ethoxy-2-ethylbutan-1-amine
CID 102547557
1-(cyclopentylmethylamino)-3-methylbutan-2-ol
CID 115907214
2-ethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine
CID 115251525
2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butan-1-ol
CID 115250861
2-chloro-N-(cyclobutylmethyl)propan-1-amine
CID 65460459
N-[[2-(chloromethyl)cyclopentyl]methyl]-2-ethylbutan-1-amine
CID 82924798
N-[(2-chlorocyclopentyl)methyl]-2-ethylbutan-1-amine
CID 82924681

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-ethylbutan-1-amine?
The IUPAC name of N-(cyclopentylmethyl)-2-ethylbutan-1-amine (CID 43317342) is N-(cyclopentylmethyl)-2-ethylbutan-1-amine.
What is the SMILES notation for N-(cyclopentylmethyl)-2-ethylbutan-1-amine?
The canonical SMILES for N-(cyclopentylmethyl)-2-ethylbutan-1-amine is CCC(CC)CNCC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-2-ethylbutan-1-amine?
The InChIKey is ZRDOKMVCAMDBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-3-11(4-2)9-13-10-12-7-5-6-8-12/h11-13H,3-10H2,1-2H3.
What are the key properties of N-(cyclopentylmethyl)-2-ethylbutan-1-amine?
N-(cyclopentylmethyl)-2-ethylbutan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-ethylbutan-1-amine is sourced from PubChem (CID 43317342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).