(Z)-2-(1-ethoxybut-3-enyl)-N,N-diethylhept-2-en-1-amine

C17H33NO — CID 14814091

IUPAC(Z)-2-(1-ethoxybut-3-enyl)-N,N-diethylhept-2-en-1-amine
SMILESC=CCC(OCC)/C(=C\CCCC)CN(CC)CC
InChIInChI=1S/C17H33NO/c1-6-11-12-14-16(15-18(8-3)9-4)17(13-7-2)19-10-5/h7,14,17H,2,6,8-13,15H2,1,3-5H3/b16-14-
InChIKeyUWCWHCRKSHDHCS-PEZBUJJGSA-N
MW267.46 g/mol
LogP4.43
Rot. Bonds12

About (Z)-2-(1-ethoxybut-3-enyl)-N,N-diethylhept-2-en-1-amine

(Z)-2-(1-ethoxybut-3-enyl)-N,N-diethylhept-2-en-1-amine (PubChem CID 14814091) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is (Z)-2-(1-ethoxybut-3-enyl)-N,N-diethylhept-2-en-1-amine.

Molecular Properties

Compound Name(Z)-2-(1-ethoxybut-3-enyl)-N,N-diethylhept-2-en-1-amine
PubChem CID14814091
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name(Z)-2-(1-ethoxybut-3-enyl)-N,N-diethylhept-2-en-1-amine
SMILESC=CCC(OCC)/C(=C\CCCC)CN(CC)CC
InChIInChI=1S/C17H33NO/c1-6-11-12-14-16(15-18(8-3)9-4)17(13-7-2)19-10-5/h7,14,17H,2,6,8-13,15H2,1,3-5H3/b16-14-
InChIKeyUWCWHCRKSHDHCS-PEZBUJJGSA-N
XLogP4.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.43
H-Bond Donors ≤ 50
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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Related Compounds

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
ethane;4-[(3E,6E)-4-ethenyl-6-[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-yl]oxy-1-methylpiperidine;prop-1-ene
CID 142087458
4-[(3E,6E)-4,6-bis[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-yl]oxy-1-methylpiperidine;ethane
CID 142087467
ethane;(Z,2E)-2-ethylidene-5-methoxy-N-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]-N-pentylhex-3-en-1-amine
CID 142550009
ethane;(2E)-N-hexyl-5-methoxy-N-propylhepta-2,6-dien-1-amine
CID 142550037
(3Z,8E)-1-ethyl-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene
CID 144515518
(7E,12Z)-9-methoxy-5,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-diene
CID 144515537
(3Z,8E)-7-methoxy-1,3-dimethyl-1-azacyclotetradeca-3,8-diene
CID 144515557
4-[(2E,4E)-4,5-dimethyl-2-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]-1-methylpiperidine
CID 156641407
(4Z,7E,12Z)-N,N,7-trimethyl-9-(2-methylpropoxy)tetradeca-4,7,12-trien-1-amine
CID 169940450
(3E,4Z)-N-ethyl-N,2-dimethyl-3-(2-prop-2-enoxypropylidene)nona-4,8-dien-1-amine
CID 173882533

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(1-ethoxybut-3-enyl)-N,N-diethylhept-2-en-1-amine?
The IUPAC name of (Z)-2-(1-ethoxybut-3-enyl)-N,N-diethylhept-2-en-1-amine (CID 14814091) is (Z)-2-(1-ethoxybut-3-enyl)-N,N-diethylhept-2-en-1-amine.
What is the SMILES notation for (Z)-2-(1-ethoxybut-3-enyl)-N,N-diethylhept-2-en-1-amine?
The canonical SMILES for (Z)-2-(1-ethoxybut-3-enyl)-N,N-diethylhept-2-en-1-amine is C=CCC(OCC)/C(=C\CCCC)CN(CC)CC.
What is the InChIKey of (Z)-2-(1-ethoxybut-3-enyl)-N,N-diethylhept-2-en-1-amine?
The InChIKey is UWCWHCRKSHDHCS-PEZBUJJGSA-N. The full InChI is InChI=1S/C17H33NO/c1-6-11-12-14-16(15-18(8-3)9-4)17(13-7-2)19-10-5/h7,14,17H,2,6,8-13,15H2,1,3-5H3/b16-14-.
What are the key properties of (Z)-2-(1-ethoxybut-3-enyl)-N,N-diethylhept-2-en-1-amine?
(Z)-2-(1-ethoxybut-3-enyl)-N,N-diethylhept-2-en-1-amine has a molecular weight of 267.46 g/mol, XLogP of 4.43, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(1-ethoxybut-3-enyl)-N,N-diethylhept-2-en-1-amine is sourced from PubChem (CID 14814091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).