N-[(3S)-5-phenylmethoxypent-1-en-3-yl]-1-prop-2-enylcyclopentan-1-amine

C20H29NO — CID 11220292

IUPACN-[(3S)-5-phenylmethoxypent-1-en-3-yl]-1-prop-2-enylcyclopentan-1-amine
SMILESC=CCC1(N[C@H](C=C)CCOCc2ccccc2)CCCC1
InChIInChI=1S/C20H29NO/c1-3-13-20(14-8-9-15-20)21-19(4-2)12-16-22-17-18-10-6-5-7-11-18/h3-7,10-11,19,21H,1-2,8-9,12-17H2/t19-/m1/s1
InChIKeyVLBOKOAJNXXHFR-LJQANCHMSA-N
MW299.46 g/mol
LogP4.63
Rot. Bonds10

About N-[(3S)-5-phenylmethoxypent-1-en-3-yl]-1-prop-2-enylcyclopentan-1-amine

N-[(3S)-5-phenylmethoxypent-1-en-3-yl]-1-prop-2-enylcyclopentan-1-amine (PubChem CID 11220292) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is N-[(3S)-5-phenylmethoxypent-1-en-3-yl]-1-prop-2-enylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(3S)-5-phenylmethoxypent-1-en-3-yl]-1-prop-2-enylcyclopentan-1-amine
PubChem CID11220292
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC NameN-[(3S)-5-phenylmethoxypent-1-en-3-yl]-1-prop-2-enylcyclopentan-1-amine
SMILESC=CCC1(N[C@H](C=C)CCOCc2ccccc2)CCCC1
InChIInChI=1S/C20H29NO/c1-3-13-20(14-8-9-15-20)21-19(4-2)12-16-22-17-18-10-6-5-7-11-18/h3-7,10-11,19,21H,1-2,8-9,12-17H2/t19-/m1/s1
InChIKeyVLBOKOAJNXXHFR-LJQANCHMSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-5-phenylmethoxypent-1-en-3-yl]-1-prop-2-enylcyclopentan-1-amine?
The IUPAC name of N-[(3S)-5-phenylmethoxypent-1-en-3-yl]-1-prop-2-enylcyclopentan-1-amine (CID 11220292) is N-[(3S)-5-phenylmethoxypent-1-en-3-yl]-1-prop-2-enylcyclopentan-1-amine.
What is the SMILES notation for N-[(3S)-5-phenylmethoxypent-1-en-3-yl]-1-prop-2-enylcyclopentan-1-amine?
The canonical SMILES for N-[(3S)-5-phenylmethoxypent-1-en-3-yl]-1-prop-2-enylcyclopentan-1-amine is C=CCC1(N[C@H](C=C)CCOCc2ccccc2)CCCC1.
What is the InChIKey of N-[(3S)-5-phenylmethoxypent-1-en-3-yl]-1-prop-2-enylcyclopentan-1-amine?
The InChIKey is VLBOKOAJNXXHFR-LJQANCHMSA-N. The full InChI is InChI=1S/C20H29NO/c1-3-13-20(14-8-9-15-20)21-19(4-2)12-16-22-17-18-10-6-5-7-11-18/h3-7,10-11,19,21H,1-2,8-9,12-17H2/t19-/m1/s1.
What are the key properties of N-[(3S)-5-phenylmethoxypent-1-en-3-yl]-1-prop-2-enylcyclopentan-1-amine?
N-[(3S)-5-phenylmethoxypent-1-en-3-yl]-1-prop-2-enylcyclopentan-1-amine has a molecular weight of 299.46 g/mol, XLogP of 4.63, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-5-phenylmethoxypent-1-en-3-yl]-1-prop-2-enylcyclopentan-1-amine is sourced from PubChem (CID 11220292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).