N-[(1S)-1-cyclopentylethyl]-4-methoxybutan-2-amine

C12H25NO — CID 81385535

IUPACN-[(1S)-1-cyclopentylethyl]-4-methoxybutan-2-amine
SMILESCOCCC(C)N[C@@H](C)C1CCCC1
InChIInChI=1S/C12H25NO/c1-10(8-9-14-3)13-11(2)12-6-4-5-7-12/h10-13H,4-9H2,1-3H3/t10?,11-/m0/s1
InChIKeyFHVKGGXBUOUZGZ-DTIOYNMSSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds6

About N-[(1S)-1-cyclopentylethyl]-4-methoxybutan-2-amine

N-[(1S)-1-cyclopentylethyl]-4-methoxybutan-2-amine (PubChem CID 81385535) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-[(1S)-1-cyclopentylethyl]-4-methoxybutan-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-cyclopentylethyl]-4-methoxybutan-2-amine
PubChem CID81385535
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-[(1S)-1-cyclopentylethyl]-4-methoxybutan-2-amine
SMILESCOCCC(C)N[C@@H](C)C1CCCC1
InChIInChI=1S/C12H25NO/c1-10(8-9-14-3)13-11(2)12-6-4-5-7-12/h10-13H,4-9H2,1-3H3/t10?,11-/m0/s1
InChIKeyFHVKGGXBUOUZGZ-DTIOYNMSSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-cyclopentylethyl]-1-methoxypropan-2-amine
CID 81385867
4-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]butan-2-amine
CID 64604411
N-[(1S)-1-cyclopentylethyl]-1-cyclopropyl-2-methoxyethanamine
CID 81386494
1-cyclopentyl-N-(2-methoxyethyl)ethanamine
CID 62633494
N-[(1R)-1-cycloheptylethyl]heptan-2-amine
CID 81390133
N-[(1R)-1-cyclohexylethyl]-5,5-dimethylhexan-2-amine
CID 114279938
N-[(1R)-1-cyclohexylethyl]-1-ethoxypropan-2-amine
CID 104866870
(4R)-4-[[(1R)-1-cyclohexylethyl]amino]pentan-1-ol
CID 97051641
N-(1-cyclopentylethyl)-4-methylpentan-2-amine
CID 62632621
(2R)-2-(1-cyclopentylethylamino)propan-1-ol
CID 114987079
N-[(1S)-1-cyclopentylethyl]-4-methylpentan-2-amine
CID 81386383
1-cyclobutyl-N-(1-cyclopentylethyl)propan-2-amine
CID 115720167

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopentylethyl]-4-methoxybutan-2-amine?
The IUPAC name of N-[(1S)-1-cyclopentylethyl]-4-methoxybutan-2-amine (CID 81385535) is N-[(1S)-1-cyclopentylethyl]-4-methoxybutan-2-amine.
What is the SMILES notation for N-[(1S)-1-cyclopentylethyl]-4-methoxybutan-2-amine?
The canonical SMILES for N-[(1S)-1-cyclopentylethyl]-4-methoxybutan-2-amine is COCCC(C)N[C@@H](C)C1CCCC1.
What is the InChIKey of N-[(1S)-1-cyclopentylethyl]-4-methoxybutan-2-amine?
The InChIKey is FHVKGGXBUOUZGZ-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(8-9-14-3)13-11(2)12-6-4-5-7-12/h10-13H,4-9H2,1-3H3/t10?,11-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopentylethyl]-4-methoxybutan-2-amine?
N-[(1S)-1-cyclopentylethyl]-4-methoxybutan-2-amine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopentylethyl]-4-methoxybutan-2-amine is sourced from PubChem (CID 81385535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).