(Z,2E)-N-ethyl-2-ethylidene-N-hexan-2-yl-5-methoxypent-3-en-1-amine

C16H31NO — CID 142549969

IUPAC(Z,2E)-N-ethyl-2-ethylidene-N-hexan-2-yl-5-methoxypent-3-en-1-amine
SMILESC/C=C(\C=C/COC)CN(CC)C(C)CCCC
InChIInChI=1S/C16H31NO/c1-6-9-11-15(4)17(8-3)14-16(7-2)12-10-13-18-5/h7,10,12,15H,6,8-9,11,13-14H2,1-5H3/b12-10-,16-7+
InChIKeyHATGLXUOBVLBAP-SQXPJVNCSA-N
MW253.43 g/mol
LogP4.04
Rot. Bonds10

About (Z,2E)-N-ethyl-2-ethylidene-N-hexan-2-yl-5-methoxypent-3-en-1-amine

(Z,2E)-N-ethyl-2-ethylidene-N-hexan-2-yl-5-methoxypent-3-en-1-amine (PubChem CID 142549969) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is (Z,2E)-N-ethyl-2-ethylidene-N-hexan-2-yl-5-methoxypent-3-en-1-amine.

Molecular Properties

Compound Name(Z,2E)-N-ethyl-2-ethylidene-N-hexan-2-yl-5-methoxypent-3-en-1-amine
PubChem CID142549969
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name(Z,2E)-N-ethyl-2-ethylidene-N-hexan-2-yl-5-methoxypent-3-en-1-amine
SMILESC/C=C(\C=C/COC)CN(CC)C(C)CCCC
InChIInChI=1S/C16H31NO/c1-6-9-11-15(4)17(8-3)14-16(7-2)12-10-13-18-5/h7,10,12,15H,6,8-9,11,13-14H2,1-5H3/b12-10-,16-7+
InChIKeyHATGLXUOBVLBAP-SQXPJVNCSA-N
XLogP4.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z,2E)-N-ethyl-2-ethylidene-N-hexan-2-yl-5-methoxypent-3-en-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-butyl-2-(2-methoxyethylidene)-N-methylcyclohexan-1-amine
CID 70432496
(3E,5S)-2-methoxy-N,N,4,8-tetramethyl-7-methylidenenona-1,3,8-trien-5-amine
CID 89283347
(3E,4Z)-3-[[(2E,4E)-hexa-2,4-dienoxy]methylidene]-N-prop-2-enyl-N-propylhepta-4,6-dien-1-amine
CID 118059284
2-methoxy-N,N,4,8-tetramethyl-7-methylidenenona-1,3,8-trien-5-amine
CID 123630450
2-(4-ethoxypenta-2,4-dien-2-yl)-1,5-dimethyl-4-prop-1-enyl-3,6-dihydro-2H-pyridine
CID 123719607
N-hexyl-N-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]hexan-1-amine
CID 138518670
N-methyl-N-[[(3Z,5Z,9E)-2-methyl-8-methylidene-2,7-dihydrooxecin-9-yl]methyl]prop-2-en-1-amine
CID 139539958
(2E)-N-butyl-2-(2-methoxyethylidene)-N-methylcyclohexan-1-amine
CID 140339732
ethane;5-ethenyl-6-[(Z)-3-methoxyprop-1-enyl]-N,N,1-trimethyl-3,4-dihydro-2H-pyridin-4-amine
CID 141781946
triethyl-[(2E,4Z)-6-(methoxymethyl)-2-methylhepta-2,4,6-trienyl]azanium
CID 142241501
butane;(Z,2E)-N-ethyl-2-ethylidene-N-hexan-2-yl-5-methoxypent-3-en-1-amine;propane
CID 142549968
ethane;(Z,2E)-2-ethylidene-5-methoxy-N-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]-N-pentylhex-3-en-1-amine
CID 142550009

Frequently Asked Questions

What is the IUPAC name of (Z,2E)-N-ethyl-2-ethylidene-N-hexan-2-yl-5-methoxypent-3-en-1-amine?
The IUPAC name of (Z,2E)-N-ethyl-2-ethylidene-N-hexan-2-yl-5-methoxypent-3-en-1-amine (CID 142549969) is (Z,2E)-N-ethyl-2-ethylidene-N-hexan-2-yl-5-methoxypent-3-en-1-amine.
What is the SMILES notation for (Z,2E)-N-ethyl-2-ethylidene-N-hexan-2-yl-5-methoxypent-3-en-1-amine?
The canonical SMILES for (Z,2E)-N-ethyl-2-ethylidene-N-hexan-2-yl-5-methoxypent-3-en-1-amine is C/C=C(\C=C/COC)CN(CC)C(C)CCCC.
What is the InChIKey of (Z,2E)-N-ethyl-2-ethylidene-N-hexan-2-yl-5-methoxypent-3-en-1-amine?
The InChIKey is HATGLXUOBVLBAP-SQXPJVNCSA-N. The full InChI is InChI=1S/C16H31NO/c1-6-9-11-15(4)17(8-3)14-16(7-2)12-10-13-18-5/h7,10,12,15H,6,8-9,11,13-14H2,1-5H3/b12-10-,16-7+.
What are the key properties of (Z,2E)-N-ethyl-2-ethylidene-N-hexan-2-yl-5-methoxypent-3-en-1-amine?
(Z,2E)-N-ethyl-2-ethylidene-N-hexan-2-yl-5-methoxypent-3-en-1-amine has a molecular weight of 253.43 g/mol, XLogP of 4.04, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-N-ethyl-2-ethylidene-N-hexan-2-yl-5-methoxypent-3-en-1-amine is sourced from PubChem (CID 142549969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).