1-[(Z)-but-2-enyl]-N-[(2S)-1-methoxypropan-2-yl]cyclopentan-1-amine

C13H25NO — CID 11138406

IUPAC1-[(Z)-but-2-enyl]-N-[(2S)-1-methoxypropan-2-yl]cyclopentan-1-amine
SMILESC/C=C\CC1(N[C@@H](C)COC)CCCC1
InChIInChI=1S/C13H25NO/c1-4-5-8-13(9-6-7-10-13)14-12(2)11-15-3/h4-5,12,14H,6-11H2,1-3H3/b5-4-/t12-/m0/s1
InChIKeyMAKCYINIFBGGEI-RXNFCKPNSA-N
MW211.35 g/mol
LogP2.89
Rot. Bonds6

About 1-[(Z)-but-2-enyl]-N-[(2S)-1-methoxypropan-2-yl]cyclopentan-1-amine

1-[(Z)-but-2-enyl]-N-[(2S)-1-methoxypropan-2-yl]cyclopentan-1-amine (PubChem CID 11138406) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-[(Z)-but-2-enyl]-N-[(2S)-1-methoxypropan-2-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[(Z)-but-2-enyl]-N-[(2S)-1-methoxypropan-2-yl]cyclopentan-1-amine
PubChem CID11138406
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-[(Z)-but-2-enyl]-N-[(2S)-1-methoxypropan-2-yl]cyclopentan-1-amine
SMILESC/C=C\CC1(N[C@@H](C)COC)CCCC1
InChIInChI=1S/C13H25NO/c1-4-5-8-13(9-6-7-10-13)14-12(2)11-15-3/h4-5,12,14H,6-11H2,1-3H3/b5-4-/t12-/m0/s1
InChIKeyMAKCYINIFBGGEI-RXNFCKPNSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-but-2-enyl]-N-[(2S)-1-methoxypropan-2-yl]cyclopentan-1-amine?
The IUPAC name of 1-[(Z)-but-2-enyl]-N-[(2S)-1-methoxypropan-2-yl]cyclopentan-1-amine (CID 11138406) is 1-[(Z)-but-2-enyl]-N-[(2S)-1-methoxypropan-2-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[(Z)-but-2-enyl]-N-[(2S)-1-methoxypropan-2-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[(Z)-but-2-enyl]-N-[(2S)-1-methoxypropan-2-yl]cyclopentan-1-amine is C/C=C\CC1(N[C@@H](C)COC)CCCC1.
What is the InChIKey of 1-[(Z)-but-2-enyl]-N-[(2S)-1-methoxypropan-2-yl]cyclopentan-1-amine?
The InChIKey is MAKCYINIFBGGEI-RXNFCKPNSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-5-8-13(9-6-7-10-13)14-12(2)11-15-3/h4-5,12,14H,6-11H2,1-3H3/b5-4-/t12-/m0/s1.
What are the key properties of 1-[(Z)-but-2-enyl]-N-[(2S)-1-methoxypropan-2-yl]cyclopentan-1-amine?
1-[(Z)-but-2-enyl]-N-[(2S)-1-methoxypropan-2-yl]cyclopentan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-but-2-enyl]-N-[(2S)-1-methoxypropan-2-yl]cyclopentan-1-amine is sourced from PubChem (CID 11138406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).