(2E)-N,3,5-trimethyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine

C12H21N — CID 142345923

IUPAC(2E)-N,3,5-trimethyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine
SMILESC=C(C)/C(CNC)=C(/C)C=C(C)C
InChIInChI=1S/C12H21N/c1-9(2)7-11(5)12(8-13-6)10(3)4/h7,13H,3,8H2,1-2,4-6H3/b12-11-
InChIKeyAYHSTUMJIFRLRE-QXMHVHEDSA-N
MW179.31 g/mol
LogP3.06
Rot. Bonds4

About (2E)-N,3,5-trimethyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine

(2E)-N,3,5-trimethyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine (PubChem CID 142345923) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (2E)-N,3,5-trimethyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-N,3,5-trimethyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine
PubChem CID142345923
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(2E)-N,3,5-trimethyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine
SMILESC=C(C)/C(CNC)=C(/C)C=C(C)C
InChIInChI=1S/C12H21N/c1-9(2)7-11(5)12(8-13-6)10(3)4/h7,13H,3,8H2,1-2,4-6H3/b12-11-
InChIKeyAYHSTUMJIFRLRE-QXMHVHEDSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.06
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

N,4-dimethyl-2-methylidenepent-3-en-1-amine
CID 146927478
(2Z)-3-methoxy-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine
CID 145148215
(E)-4-methoxy-N-methyl-2-methylidenepent-3-en-1-amine
CID 142133536
(2E,4Z)-N-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine
CID 142839677
2-(methylaminomethyl)prop-2-enal
CID 154323639
2-(methylamino)acetamide;2-methylprop-2-enoic acid
CID 22182173
(2Z)-3-bromo-N,4-dimethyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine
CID 90142129
(3Z)-3-ethyl-4,6-dimethylhepta-3,5-dien-2-imine
CID 126639572
N,3-dimethylbut-2-enethioamide
CID 15634520
2,4-dimethylpenta-1,3-diene;rhodium
CID 175138892
2,4-dimethylpenta-1,3-diene;ethane
CID 144511028
(Z)-N,2-dimethyl-3-(methylideneamino)prop-2-en-1-amine
CID 139514431

Frequently Asked Questions

What is the IUPAC name of (2E)-N,3,5-trimethyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine?
The IUPAC name of (2E)-N,3,5-trimethyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine (CID 142345923) is (2E)-N,3,5-trimethyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine.
What is the SMILES notation for (2E)-N,3,5-trimethyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine?
The canonical SMILES for (2E)-N,3,5-trimethyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine is C=C(C)/C(CNC)=C(/C)C=C(C)C.
What is the InChIKey of (2E)-N,3,5-trimethyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine?
The InChIKey is AYHSTUMJIFRLRE-QXMHVHEDSA-N. The full InChI is InChI=1S/C12H21N/c1-9(2)7-11(5)12(8-13-6)10(3)4/h7,13H,3,8H2,1-2,4-6H3/b12-11-.
What are the key properties of (2E)-N,3,5-trimethyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine?
(2E)-N,3,5-trimethyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine has a molecular weight of 179.31 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N,3,5-trimethyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine is sourced from PubChem (CID 142345923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).