(2Z,4E)-2-ethyl-N-methylhexa-2,4-dien-1-amine

C9H17N — CID 55298161

IUPAC(2Z,4E)-2-ethyl-N-methylhexa-2,4-dien-1-amine
SMILESC/C=C/C=C(/CC)CNC
InChIInChI=1S/C9H17N/c1-4-6-7-9(5-2)8-10-3/h4,6-7,10H,5,8H2,1-3H3/b6-4+,9-7-
InChIKeySARSTXKCMCTOTP-YVRRMWDWSA-N
MW139.24 g/mol
LogP2.12
Rot. Bonds4

About (2Z,4E)-2-ethyl-N-methylhexa-2,4-dien-1-amine

(2Z,4E)-2-ethyl-N-methylhexa-2,4-dien-1-amine (PubChem CID 55298161) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (2Z,4E)-2-ethyl-N-methylhexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z,4E)-2-ethyl-N-methylhexa-2,4-dien-1-amine
PubChem CID55298161
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(2Z,4E)-2-ethyl-N-methylhexa-2,4-dien-1-amine
SMILESC/C=C/C=C(/CC)CNC
InChIInChI=1S/C9H17N/c1-4-6-7-9(5-2)8-10-3/h4,6-7,10H,5,8H2,1-3H3/b6-4+,9-7-
InChIKeySARSTXKCMCTOTP-YVRRMWDWSA-N
XLogP2.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-7-methylnona-2,4-diene
CID 123846326
(2E,4E)-5-ethyl-7-methylocta-2,4-diene
CID 173194163
(4Z,6Z)-4-ethylocta-1,4,6-triene;methanamine
CID 142945126
(2E,4Z)-N-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine
CID 142839677
2-ethylhexa-2,4-dienyl carbamate
CID 123678203
ethane;(E,4E)-2-ethyl-4-ethylidene-N-methylpent-2-ene-1,5-diamine
CID 142040698
1-[(3E,5Z)-3-ethylhepta-3,5-dienyl]piperazine
CID 129043366
(4E,6Z)-4-ethenylocta-4,6-dien-3-one;N-methylmethanamine
CID 143337723
N-methyl-N'-[(2E,4Z)-2-methylhexa-2,4-dienyl]ethane-1,2-diamine
CID 143508442
(E)-2-[[(Z)-but-2-enylidene]amino]-N-methylpent-2-en-1-amine
CID 166976303
4-ethyl-3-fluoroocta-2,4,6-triene
CID 123568888
(2Z,4E)-N-methylhexa-2,4-dien-2-amine
CID 142249043

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-2-ethyl-N-methylhexa-2,4-dien-1-amine?
The IUPAC name of (2Z,4E)-2-ethyl-N-methylhexa-2,4-dien-1-amine (CID 55298161) is (2Z,4E)-2-ethyl-N-methylhexa-2,4-dien-1-amine.
What is the SMILES notation for (2Z,4E)-2-ethyl-N-methylhexa-2,4-dien-1-amine?
The canonical SMILES for (2Z,4E)-2-ethyl-N-methylhexa-2,4-dien-1-amine is C/C=C/C=C(/CC)CNC.
What is the InChIKey of (2Z,4E)-2-ethyl-N-methylhexa-2,4-dien-1-amine?
The InChIKey is SARSTXKCMCTOTP-YVRRMWDWSA-N. The full InChI is InChI=1S/C9H17N/c1-4-6-7-9(5-2)8-10-3/h4,6-7,10H,5,8H2,1-3H3/b6-4+,9-7-.
What are the key properties of (2Z,4E)-2-ethyl-N-methylhexa-2,4-dien-1-amine?
(2Z,4E)-2-ethyl-N-methylhexa-2,4-dien-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-2-ethyl-N-methylhexa-2,4-dien-1-amine is sourced from PubChem (CID 55298161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).