(3R)-N-(cyclohexylmethyl)-5-phenylmethoxypent-1-en-3-amine

C19H29NO — CID 134961738

IUPAC(3R)-N-(cyclohexylmethyl)-5-phenylmethoxypent-1-en-3-amine
SMILESC=C[C@@H](CCOCc1ccccc1)NCC1CCCCC1
InChIInChI=1S/C19H29NO/c1-2-19(20-15-17-9-5-3-6-10-17)13-14-21-16-18-11-7-4-8-12-18/h2,4,7-8,11-12,17,19-20H,1,3,5-6,9-10,13-16H2/t19-/m0/s1
InChIKeyIXXCKLBVHQWCBO-IBGZPJMESA-N
MW287.45 g/mol
LogP4.32
Rot. Bonds9

About (3R)-N-(cyclohexylmethyl)-5-phenylmethoxypent-1-en-3-amine

(3R)-N-(cyclohexylmethyl)-5-phenylmethoxypent-1-en-3-amine (PubChem CID 134961738) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is (3R)-N-(cyclohexylmethyl)-5-phenylmethoxypent-1-en-3-amine.

Molecular Properties

Compound Name(3R)-N-(cyclohexylmethyl)-5-phenylmethoxypent-1-en-3-amine
PubChem CID134961738
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name(3R)-N-(cyclohexylmethyl)-5-phenylmethoxypent-1-en-3-amine
SMILESC=C[C@@H](CCOCc1ccccc1)NCC1CCCCC1
InChIInChI=1S/C19H29NO/c1-2-19(20-15-17-9-5-3-6-10-17)13-14-21-16-18-11-7-4-8-12-18/h2,4,7-8,11-12,17,19-20H,1,3,5-6,9-10,13-16H2/t19-/m0/s1
InChIKeyIXXCKLBVHQWCBO-IBGZPJMESA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.32
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 (3R)-N-(cyclohexylmethyl)-5-phenylmethoxypent-1-en-3-amine?
The IUPAC name of (3R)-N-(cyclohexylmethyl)-5-phenylmethoxypent-1-en-3-amine (CID 134961738) is (3R)-N-(cyclohexylmethyl)-5-phenylmethoxypent-1-en-3-amine.
What is the SMILES notation for (3R)-N-(cyclohexylmethyl)-5-phenylmethoxypent-1-en-3-amine?
The canonical SMILES for (3R)-N-(cyclohexylmethyl)-5-phenylmethoxypent-1-en-3-amine is C=C[C@@H](CCOCc1ccccc1)NCC1CCCCC1.
What is the InChIKey of (3R)-N-(cyclohexylmethyl)-5-phenylmethoxypent-1-en-3-amine?
The InChIKey is IXXCKLBVHQWCBO-IBGZPJMESA-N. The full InChI is InChI=1S/C19H29NO/c1-2-19(20-15-17-9-5-3-6-10-17)13-14-21-16-18-11-7-4-8-12-18/h2,4,7-8,11-12,17,19-20H,1,3,5-6,9-10,13-16H2/t19-/m0/s1.
What are the key properties of (3R)-N-(cyclohexylmethyl)-5-phenylmethoxypent-1-en-3-amine?
(3R)-N-(cyclohexylmethyl)-5-phenylmethoxypent-1-en-3-amine has a molecular weight of 287.45 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(cyclohexylmethyl)-5-phenylmethoxypent-1-en-3-amine is sourced from PubChem (CID 134961738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).