(4E,6Z)-N-(cyclopropylmethyl)-N-ethyl-4-methoxyocta-4,6-dien-1-amine

C15H27NO — CID 138739942

IUPAC(4E,6Z)-N-(cyclopropylmethyl)-N-ethyl-4-methoxyocta-4,6-dien-1-amine
SMILESC/C=C\C=C(/CCCN(CC)CC1CC1)OC
InChIInChI=1S/C15H27NO/c1-4-6-8-15(17-3)9-7-12-16(5-2)13-14-10-11-14/h4,6,8,14H,5,7,9-13H2,1-3H3/b6-4-,15-8+
InChIKeyCNKVXRMFTOHAHK-KKMCOEOTSA-N
MW237.39 g/mol
LogP3.60
Rot. Bonds9

About (4E,6Z)-N-(cyclopropylmethyl)-N-ethyl-4-methoxyocta-4,6-dien-1-amine

(4E,6Z)-N-(cyclopropylmethyl)-N-ethyl-4-methoxyocta-4,6-dien-1-amine (PubChem CID 138739942) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is (4E,6Z)-N-(cyclopropylmethyl)-N-ethyl-4-methoxyocta-4,6-dien-1-amine.

Molecular Properties

Compound Name(4E,6Z)-N-(cyclopropylmethyl)-N-ethyl-4-methoxyocta-4,6-dien-1-amine
PubChem CID138739942
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name(4E,6Z)-N-(cyclopropylmethyl)-N-ethyl-4-methoxyocta-4,6-dien-1-amine
SMILESC/C=C\C=C(/CCCN(CC)CC1CC1)OC
InChIInChI=1S/C15H27NO/c1-4-6-8-15(17-3)9-7-12-16(5-2)13-14-10-11-14/h4,6,8,14H,5,7,9-13H2,1-3H3/b6-4-,15-8+
InChIKeyCNKVXRMFTOHAHK-KKMCOEOTSA-N
XLogP3.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-N-(cyclopropylmethyl)-N-ethyl-4-methoxyocta-4,6-dien-1-amine?
The IUPAC name of (4E,6Z)-N-(cyclopropylmethyl)-N-ethyl-4-methoxyocta-4,6-dien-1-amine (CID 138739942) is (4E,6Z)-N-(cyclopropylmethyl)-N-ethyl-4-methoxyocta-4,6-dien-1-amine.
What is the SMILES notation for (4E,6Z)-N-(cyclopropylmethyl)-N-ethyl-4-methoxyocta-4,6-dien-1-amine?
The canonical SMILES for (4E,6Z)-N-(cyclopropylmethyl)-N-ethyl-4-methoxyocta-4,6-dien-1-amine is C/C=C\C=C(/CCCN(CC)CC1CC1)OC.
What is the InChIKey of (4E,6Z)-N-(cyclopropylmethyl)-N-ethyl-4-methoxyocta-4,6-dien-1-amine?
The InChIKey is CNKVXRMFTOHAHK-KKMCOEOTSA-N. The full InChI is InChI=1S/C15H27NO/c1-4-6-8-15(17-3)9-7-12-16(5-2)13-14-10-11-14/h4,6,8,14H,5,7,9-13H2,1-3H3/b6-4-,15-8+.
What are the key properties of (4E,6Z)-N-(cyclopropylmethyl)-N-ethyl-4-methoxyocta-4,6-dien-1-amine?
(4E,6Z)-N-(cyclopropylmethyl)-N-ethyl-4-methoxyocta-4,6-dien-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.60, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-N-(cyclopropylmethyl)-N-ethyl-4-methoxyocta-4,6-dien-1-amine is sourced from PubChem (CID 138739942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).