(2E,4Z)-N-(cyclohexylmethyl)-6-methoxy-N-propan-2-ylhexa-2,4-dien-3-amine

C17H31NO — CID 138519116

IUPAC(2E,4Z)-N-(cyclohexylmethyl)-6-methoxy-N-propan-2-ylhexa-2,4-dien-3-amine
SMILESC/C=C(\C=C/COC)N(CC1CCCCC1)C(C)C
InChIInChI=1S/C17H31NO/c1-5-17(12-9-13-19-4)18(15(2)3)14-16-10-7-6-8-11-16/h5,9,12,15-16H,6-8,10-11,13-14H2,1-4H3/b12-9-,17-5+
InChIKeyDGRLUFRFQJBICZ-UAYAYDANSA-N
MW265.44 g/mol
LogP4.38
Rot. Bonds7

About (2E,4Z)-N-(cyclohexylmethyl)-6-methoxy-N-propan-2-ylhexa-2,4-dien-3-amine

(2E,4Z)-N-(cyclohexylmethyl)-6-methoxy-N-propan-2-ylhexa-2,4-dien-3-amine (PubChem CID 138519116) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is (2E,4Z)-N-(cyclohexylmethyl)-6-methoxy-N-propan-2-ylhexa-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-N-(cyclohexylmethyl)-6-methoxy-N-propan-2-ylhexa-2,4-dien-3-amine
PubChem CID138519116
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name(2E,4Z)-N-(cyclohexylmethyl)-6-methoxy-N-propan-2-ylhexa-2,4-dien-3-amine
SMILESC/C=C(\C=C/COC)N(CC1CCCCC1)C(C)C
InChIInChI=1S/C17H31NO/c1-5-17(12-9-13-19-4)18(15(2)3)14-16-10-7-6-8-11-16/h5,9,12,15-16H,6-8,10-11,13-14H2,1-4H3/b12-9-,17-5+
InChIKeyDGRLUFRFQJBICZ-UAYAYDANSA-N
XLogP4.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-(cyclohexylmethyl)-6-methoxy-N-propan-2-ylhexa-2,4-dien-3-amine?
The IUPAC name of (2E,4Z)-N-(cyclohexylmethyl)-6-methoxy-N-propan-2-ylhexa-2,4-dien-3-amine (CID 138519116) is (2E,4Z)-N-(cyclohexylmethyl)-6-methoxy-N-propan-2-ylhexa-2,4-dien-3-amine.
What is the SMILES notation for (2E,4Z)-N-(cyclohexylmethyl)-6-methoxy-N-propan-2-ylhexa-2,4-dien-3-amine?
The canonical SMILES for (2E,4Z)-N-(cyclohexylmethyl)-6-methoxy-N-propan-2-ylhexa-2,4-dien-3-amine is C/C=C(\C=C/COC)N(CC1CCCCC1)C(C)C.
What is the InChIKey of (2E,4Z)-N-(cyclohexylmethyl)-6-methoxy-N-propan-2-ylhexa-2,4-dien-3-amine?
The InChIKey is DGRLUFRFQJBICZ-UAYAYDANSA-N. The full InChI is InChI=1S/C17H31NO/c1-5-17(12-9-13-19-4)18(15(2)3)14-16-10-7-6-8-11-16/h5,9,12,15-16H,6-8,10-11,13-14H2,1-4H3/b12-9-,17-5+.
What are the key properties of (2E,4Z)-N-(cyclohexylmethyl)-6-methoxy-N-propan-2-ylhexa-2,4-dien-3-amine?
(2E,4Z)-N-(cyclohexylmethyl)-6-methoxy-N-propan-2-ylhexa-2,4-dien-3-amine has a molecular weight of 265.44 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-(cyclohexylmethyl)-6-methoxy-N-propan-2-ylhexa-2,4-dien-3-amine is sourced from PubChem (CID 138519116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).