(3E)-N,N,4-trimethyl-3-propan-2-ylhexa-3,5-dien-2-amine

C12H23N — CID 166854160

IUPAC(3E)-N,N,4-trimethyl-3-propan-2-ylhexa-3,5-dien-2-amine
SMILESC=C/C(C)=C(\C(C)C)C(C)N(C)C
InChIInChI=1S/C12H23N/c1-8-10(4)12(9(2)3)11(5)13(6)7/h8-9,11H,1H2,2-7H3/b12-10+
InChIKeyUVOHWGSOWKEIGW-ZRDIBKRKSA-N
MW181.32 g/mol
LogP3.10
Rot. Bonds4

About (3E)-N,N,4-trimethyl-3-propan-2-ylhexa-3,5-dien-2-amine

(3E)-N,N,4-trimethyl-3-propan-2-ylhexa-3,5-dien-2-amine (PubChem CID 166854160) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (3E)-N,N,4-trimethyl-3-propan-2-ylhexa-3,5-dien-2-amine.

Molecular Properties

Compound Name(3E)-N,N,4-trimethyl-3-propan-2-ylhexa-3,5-dien-2-amine
PubChem CID166854160
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(3E)-N,N,4-trimethyl-3-propan-2-ylhexa-3,5-dien-2-amine
SMILESC=C/C(C)=C(\C(C)C)C(C)N(C)C
InChIInChI=1S/C12H23N/c1-8-10(4)12(9(2)3)11(5)13(6)7/h8-9,11H,1H2,2-7H3/b12-10+
InChIKeyUVOHWGSOWKEIGW-ZRDIBKRKSA-N
XLogP3.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.10
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

(3Z,5E)-3,4,6,7-tetramethylocta-1,3,5-triene
CID 178040124
3,4-dimethylpenta-1,3-diene
CID 6713443
(3Z,5Z)-3,5-dimethyl-4-propan-2-ylhepta-1,3,5-triene
CID 143832543
(Z)-N,N,3,5-tetramethylhex-3-en-2-amine
CID 156531343
(3S)-3-(dimethylamino)but-1-en-2-ol
CID 90069632
methanamine;(1E)-1-N',1-N',2-trimethylbuta-1,3-diene-1,1-diamine
CID 143791627
(2R)-N-[(E)-but-2-en-2-yl]-N-methyl-3-methylidenepent-4-en-2-amine
CID 137457731
2-(dimethylamino)-4-methylpentan-3-one
CID 22983306
3-N,3-N-dimethylbut-1-ene-2,3-diamine
CID 89045153
2-methylbuta-1,3-diene;2-methylpropane
CID 19064095
(3Z)-3,4-di(propan-2-yl)hexa-1,3,5-triene
CID 145336445
(1Z)-1-[ethyl-[(1Z)-1-hydroxy-2-methylbuta-1,3-dienyl]amino]-2-methylbuta-1,3-dien-1-ol
CID 140523828

Frequently Asked Questions

What is the IUPAC name of (3E)-N,N,4-trimethyl-3-propan-2-ylhexa-3,5-dien-2-amine?
The IUPAC name of (3E)-N,N,4-trimethyl-3-propan-2-ylhexa-3,5-dien-2-amine (CID 166854160) is (3E)-N,N,4-trimethyl-3-propan-2-ylhexa-3,5-dien-2-amine.
What is the SMILES notation for (3E)-N,N,4-trimethyl-3-propan-2-ylhexa-3,5-dien-2-amine?
The canonical SMILES for (3E)-N,N,4-trimethyl-3-propan-2-ylhexa-3,5-dien-2-amine is C=C/C(C)=C(\C(C)C)C(C)N(C)C.
What is the InChIKey of (3E)-N,N,4-trimethyl-3-propan-2-ylhexa-3,5-dien-2-amine?
The InChIKey is UVOHWGSOWKEIGW-ZRDIBKRKSA-N. The full InChI is InChI=1S/C12H23N/c1-8-10(4)12(9(2)3)11(5)13(6)7/h8-9,11H,1H2,2-7H3/b12-10+.
What are the key properties of (3E)-N,N,4-trimethyl-3-propan-2-ylhexa-3,5-dien-2-amine?
(3E)-N,N,4-trimethyl-3-propan-2-ylhexa-3,5-dien-2-amine has a molecular weight of 181.32 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N,N,4-trimethyl-3-propan-2-ylhexa-3,5-dien-2-amine is sourced from PubChem (CID 166854160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).