(3E)-N-ethyl-N-methylhexa-3,5-dien-1-amine

C9H17N — CID 90250613

IUPAC(3E)-N-ethyl-N-methylhexa-3,5-dien-1-amine
SMILESC=C/C=C/CCN(C)CC
InChIInChI=1S/C9H17N/c1-4-6-7-8-9-10(3)5-2/h4,6-7H,1,5,8-9H2,2-3H3/b7-6+
InChIKeyDASZBYGECVVRHO-VOTSOKGWSA-N
MW139.24 g/mol
LogP2.07
Rot. Bonds5

About (3E)-N-ethyl-N-methylhexa-3,5-dien-1-amine

(3E)-N-ethyl-N-methylhexa-3,5-dien-1-amine (PubChem CID 90250613) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (3E)-N-ethyl-N-methylhexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3E)-N-ethyl-N-methylhexa-3,5-dien-1-amine
PubChem CID90250613
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(3E)-N-ethyl-N-methylhexa-3,5-dien-1-amine
SMILESC=C/C=C/CCN(C)CC
InChIInChI=1S/C9H17N/c1-4-6-7-8-9-10(3)5-2/h4,6-7H,1,5,8-9H2,2-3H3/b7-6+
InChIKeyDASZBYGECVVRHO-VOTSOKGWSA-N
XLogP2.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.07
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

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CID 3056866
3-Buten-1-amine, N,N-diethyl-
CID 559299
N-but-3-enyl-N-methylbut-3-en-1-amine
CID 13774522
2-Diethylaminomethylphenyllithium
CID 21399648
2-[(Diethylamino)methyl]phenylmagnesium bromide, 0.25M in THF
CID 57533218
2-Methyl-2-aza-5,7-octadiene
CID 123595184
1-fluoro-N-methyl-N-propylcyclohexa-2,4-dien-1-amine
CID 22637871
(3E,5Z)-N-butyl-3-fluoro-N-methyl-2-methylidenehepta-3,5-dien-1-amine
CID 144347511
(3Z,5Z)-4-fluoro-N-methyl-N-propan-2-ylocta-3,5,7-trien-3-amine
CID 146595703
(2E,3Z)-2-ethylidene-N-(2-fluoroethyl)-N,5-dimethylhexa-3,5-dien-1-amine
CID 155197917
(E)-N-ethyl-6-fluoro-N-methylhex-3-en-1-amine
CID 169859781

Frequently Asked Questions

What is the IUPAC name of (3E)-N-ethyl-N-methylhexa-3,5-dien-1-amine?
The IUPAC name of (3E)-N-ethyl-N-methylhexa-3,5-dien-1-amine (CID 90250613) is (3E)-N-ethyl-N-methylhexa-3,5-dien-1-amine.
What is the SMILES notation for (3E)-N-ethyl-N-methylhexa-3,5-dien-1-amine?
The canonical SMILES for (3E)-N-ethyl-N-methylhexa-3,5-dien-1-amine is C=C/C=C/CCN(C)CC.
What is the InChIKey of (3E)-N-ethyl-N-methylhexa-3,5-dien-1-amine?
The InChIKey is DASZBYGECVVRHO-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H17N/c1-4-6-7-8-9-10(3)5-2/h4,6-7H,1,5,8-9H2,2-3H3/b7-6+.
What are the key properties of (3E)-N-ethyl-N-methylhexa-3,5-dien-1-amine?
(3E)-N-ethyl-N-methylhexa-3,5-dien-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-ethyl-N-methylhexa-3,5-dien-1-amine is sourced from PubChem (CID 90250613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).