(4E)-N-ethyl-3,3-dimethylhexa-1,4-dien-2-amine

C10H19N — CID 139570265

IUPAC(4E)-N-ethyl-3,3-dimethylhexa-1,4-dien-2-amine
SMILESC=C(NCC)C(C)(C)/C=C/C
InChIInChI=1S/C10H19N/c1-6-8-10(4,5)9(3)11-7-2/h6,8,11H,3,7H2,1-2,4-5H3/b8-6+
InChIKeyOJRLLRWMQGRWDS-SOFGYWHQSA-N
MW153.27 g/mol
LogP2.71
Rot. Bonds4

About (4E)-N-ethyl-3,3-dimethylhexa-1,4-dien-2-amine

(4E)-N-ethyl-3,3-dimethylhexa-1,4-dien-2-amine (PubChem CID 139570265) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (4E)-N-ethyl-3,3-dimethylhexa-1,4-dien-2-amine.

Molecular Properties

Compound Name(4E)-N-ethyl-3,3-dimethylhexa-1,4-dien-2-amine
PubChem CID139570265
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(4E)-N-ethyl-3,3-dimethylhexa-1,4-dien-2-amine
SMILESC=C(NCC)C(C)(C)/C=C/C
InChIInChI=1S/C10H19N/c1-6-8-10(4,5)9(3)11-7-2/h6,8,11H,3,7H2,1-2,4-5H3/b8-6+
InChIKeyOJRLLRWMQGRWDS-SOFGYWHQSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E)-N-ethylpenta-1,3-dien-3-amine
CID 142013654
(Z)-6-ethyl-4,4,6,8-tetramethyl-5-methylidenedec-2-ene;uranium
CID 142054657
1-N,1-N'-diethylprop-1-ene-1,1-diamine
CID 87221910
(E)-2,2-dimethylpent-3-enoic acid
CID 5367768
(E)-N-ethylbut-2-en-2-amine
CID 18734703
N-ethyl-2-fluoroprop-2-enamide
CID 138502811
(E)-N-ethyl-2-methylbut-2-enamide
CID 22451134
2-(3,3-dimethylbutyl)-1-ethyl-3-prop-2-enylguanidine;hydroiodide
CID 136925989
1-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]-N-ethylethenamine
CID 143048491
(2E)-2-ethenyl-N-ethyl-3-methylpenta-2,4-dienamide
CID 144618741
(2E,4Z)-N-ethylhepta-2,4,6-trien-3-amine;methane
CID 143049529
3-ethylhex-4-en-3-ol
CID 54219311

Frequently Asked Questions

What is the IUPAC name of (4E)-N-ethyl-3,3-dimethylhexa-1,4-dien-2-amine?
The IUPAC name of (4E)-N-ethyl-3,3-dimethylhexa-1,4-dien-2-amine (CID 139570265) is (4E)-N-ethyl-3,3-dimethylhexa-1,4-dien-2-amine.
What is the SMILES notation for (4E)-N-ethyl-3,3-dimethylhexa-1,4-dien-2-amine?
The canonical SMILES for (4E)-N-ethyl-3,3-dimethylhexa-1,4-dien-2-amine is C=C(NCC)C(C)(C)/C=C/C.
What is the InChIKey of (4E)-N-ethyl-3,3-dimethylhexa-1,4-dien-2-amine?
The InChIKey is OJRLLRWMQGRWDS-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H19N/c1-6-8-10(4,5)9(3)11-7-2/h6,8,11H,3,7H2,1-2,4-5H3/b8-6+.
What are the key properties of (4E)-N-ethyl-3,3-dimethylhexa-1,4-dien-2-amine?
(4E)-N-ethyl-3,3-dimethylhexa-1,4-dien-2-amine has a molecular weight of 153.27 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-N-ethyl-3,3-dimethylhexa-1,4-dien-2-amine is sourced from PubChem (CID 139570265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).