(2Z)-3-tert-butyl-N,N,4-trimethylpenta-2,4-dien-2-amine

C12H23N — CID 138649011

IUPAC(2Z)-3-tert-butyl-N,N,4-trimethylpenta-2,4-dien-2-amine
SMILESC=C(C)/C(=C(/C)N(C)C)C(C)(C)C
InChIInChI=1S/C12H23N/c1-9(2)11(12(4,5)6)10(3)13(7)8/h1H2,2-8H3/b11-10+
InChIKeyWCFYCQQFMDJAHP-ZHACJKMWSA-N
MW181.32 g/mol
LogP3.44
Rot. Bonds2

About (2Z)-3-tert-butyl-N,N,4-trimethylpenta-2,4-dien-2-amine

(2Z)-3-tert-butyl-N,N,4-trimethylpenta-2,4-dien-2-amine (PubChem CID 138649011) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (2Z)-3-tert-butyl-N,N,4-trimethylpenta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z)-3-tert-butyl-N,N,4-trimethylpenta-2,4-dien-2-amine
PubChem CID138649011
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(2Z)-3-tert-butyl-N,N,4-trimethylpenta-2,4-dien-2-amine
SMILESC=C(C)/C(=C(/C)N(C)C)C(C)(C)C
InChIInChI=1S/C12H23N/c1-9(2)11(12(4,5)6)10(3)13(7)8/h1H2,2-8H3/b11-10+
InChIKeyWCFYCQQFMDJAHP-ZHACJKMWSA-N
XLogP3.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.44
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

(3E)-3-tert-butyl-2,4,5,5-tetramethylhexa-1,3-diene
CID 157253395
(E)-N,N,3,4,4-pentamethylpent-2-en-2-amine
CID 166688460
(E)-3-(dimethylamino)-2-prop-1-en-2-ylbut-2-enal
CID 89489100
(Z)-N,N,3,4,4,5,5-heptamethylhex-2-en-2-amine
CID 160974386
(1Z)-2-tert-butyl-N,3-dimethylbuta-1,3-dien-1-amine
CID 129132612
bis(N,N-dimethylmethanamine);2-methylprop-1-ene
CID 174752405
(3E)-N,N,2-trimethylpenta-1,3-dien-3-amine
CID 135214583
azane;N,N,2-trimethylprop-2-enamide
CID 162327856
N,N,2,4,4-pentamethylpent-2-en-3-amine
CID 148932598
2,3-dichloro-3-methylbut-1-ene
CID 12615568
N,N-dimethylprop-1-en-2-amine;methane;2-methylprop-1-ene
CID 159548709
2,2-dibromo-2-cyano-N,N-dimethylacetamide
CID 12746014

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-tert-butyl-N,N,4-trimethylpenta-2,4-dien-2-amine?
The IUPAC name of (2Z)-3-tert-butyl-N,N,4-trimethylpenta-2,4-dien-2-amine (CID 138649011) is (2Z)-3-tert-butyl-N,N,4-trimethylpenta-2,4-dien-2-amine.
What is the SMILES notation for (2Z)-3-tert-butyl-N,N,4-trimethylpenta-2,4-dien-2-amine?
The canonical SMILES for (2Z)-3-tert-butyl-N,N,4-trimethylpenta-2,4-dien-2-amine is C=C(C)/C(=C(/C)N(C)C)C(C)(C)C.
What is the InChIKey of (2Z)-3-tert-butyl-N,N,4-trimethylpenta-2,4-dien-2-amine?
The InChIKey is WCFYCQQFMDJAHP-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H23N/c1-9(2)11(12(4,5)6)10(3)13(7)8/h1H2,2-8H3/b11-10+.
What are the key properties of (2Z)-3-tert-butyl-N,N,4-trimethylpenta-2,4-dien-2-amine?
(2Z)-3-tert-butyl-N,N,4-trimethylpenta-2,4-dien-2-amine has a molecular weight of 181.32 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-tert-butyl-N,N,4-trimethylpenta-2,4-dien-2-amine is sourced from PubChem (CID 138649011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).