(3E,5Z)-N-butyl-N-ethyl-2-methylocta-3,5-dien-4-amine

C15H29N — CID 134365055

IUPAC(3E,5Z)-N-butyl-N-ethyl-2-methylocta-3,5-dien-4-amine
SMILESCC/C=C\C(=C/C(C)C)N(CC)CCCC
InChIInChI=1S/C15H29N/c1-6-9-11-15(13-14(4)5)16(8-3)12-10-7-2/h9,11,13-14H,6-8,10,12H2,1-5H3/b11-9-,15-13+
InChIKeyBWDYLMXUHWYFMQ-NPEMSZEQSA-N
MW223.40 g/mol
LogP4.61
Rot. Bonds8

About (3E,5Z)-N-butyl-N-ethyl-2-methylocta-3,5-dien-4-amine

(3E,5Z)-N-butyl-N-ethyl-2-methylocta-3,5-dien-4-amine (PubChem CID 134365055) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is (3E,5Z)-N-butyl-N-ethyl-2-methylocta-3,5-dien-4-amine.

Molecular Properties

Compound Name(3E,5Z)-N-butyl-N-ethyl-2-methylocta-3,5-dien-4-amine
PubChem CID134365055
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name(3E,5Z)-N-butyl-N-ethyl-2-methylocta-3,5-dien-4-amine
SMILESCC/C=C\C(=C/C(C)C)N(CC)CCCC
InChIInChI=1S/C15H29N/c1-6-9-11-15(13-14(4)5)16(8-3)12-10-7-2/h9,11,13-14H,6-8,10,12H2,1-5H3/b11-9-,15-13+
InChIKeyBWDYLMXUHWYFMQ-NPEMSZEQSA-N
XLogP4.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dibutylpent-2-enamide
CID 154390041
1-butyl-1-ethyl-3-(2-methylpropyl)thiourea
CID 115570265
N,N-bis(but-1-enyl)butan-1-amine
CID 73433209
5-amino-N-butyl-N-ethylhexanamide
CID 82848623
(3E,5Z)-N-butyl-N-ethyl-6-methylocta-1,3,5,7-tetraen-3-amine
CID 144512992
dibutylcarbamothioylsulfanyl N,N-dibutylcarbamodithioate;diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate
CID 90091780
(2E,4Z,6Z)-N-hexyl-N-propylnona-2,4,6-trien-3-amine
CID 170060787
(2S)-2-amino-N,N-dibutyl-3-methylbutanamide
CID 28983163
N,N-di(propan-2-yl)butan-1-amine
CID 11062646
O-propyl N-butyl-N-ethylcarbamothioate
CID 19870866
N-butyl-N-ethylpentanamide
CID 4629847
Bis(dibutyldithiocarbamato-S,S')copper
CID 156614044

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-N-butyl-N-ethyl-2-methylocta-3,5-dien-4-amine?
The IUPAC name of (3E,5Z)-N-butyl-N-ethyl-2-methylocta-3,5-dien-4-amine (CID 134365055) is (3E,5Z)-N-butyl-N-ethyl-2-methylocta-3,5-dien-4-amine.
What is the SMILES notation for (3E,5Z)-N-butyl-N-ethyl-2-methylocta-3,5-dien-4-amine?
The canonical SMILES for (3E,5Z)-N-butyl-N-ethyl-2-methylocta-3,5-dien-4-amine is CC/C=C\C(=C/C(C)C)N(CC)CCCC.
What is the InChIKey of (3E,5Z)-N-butyl-N-ethyl-2-methylocta-3,5-dien-4-amine?
The InChIKey is BWDYLMXUHWYFMQ-NPEMSZEQSA-N. The full InChI is InChI=1S/C15H29N/c1-6-9-11-15(13-14(4)5)16(8-3)12-10-7-2/h9,11,13-14H,6-8,10,12H2,1-5H3/b11-9-,15-13+.
What are the key properties of (3E,5Z)-N-butyl-N-ethyl-2-methylocta-3,5-dien-4-amine?
(3E,5Z)-N-butyl-N-ethyl-2-methylocta-3,5-dien-4-amine has a molecular weight of 223.40 g/mol, XLogP of 4.61, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N-butyl-N-ethyl-2-methylocta-3,5-dien-4-amine is sourced from PubChem (CID 134365055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).