(1Z)-2-tert-butyl-N,3-dimethylbuta-1,3-dien-1-amine

C10H19N — CID 129132612

IUPAC(1Z)-2-tert-butyl-N,3-dimethylbuta-1,3-dien-1-amine
SMILESC=C(C)/C(=C\NC)C(C)(C)C
InChIInChI=1S/C10H19N/c1-8(2)9(7-11-6)10(3,4)5/h7,11H,1H2,2-6H3/b9-7+
InChIKeyUMECZBGZYZAKGT-VQHVLOKHSA-N
MW153.27 g/mol
LogP2.71
Rot. Bonds2

About (1Z)-2-tert-butyl-N,3-dimethylbuta-1,3-dien-1-amine

(1Z)-2-tert-butyl-N,3-dimethylbuta-1,3-dien-1-amine (PubChem CID 129132612) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (1Z)-2-tert-butyl-N,3-dimethylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-2-tert-butyl-N,3-dimethylbuta-1,3-dien-1-amine
PubChem CID129132612
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(1Z)-2-tert-butyl-N,3-dimethylbuta-1,3-dien-1-amine
SMILESC=C(C)/C(=C\NC)C(C)(C)C
InChIInChI=1S/C10H19N/c1-8(2)9(7-11-6)10(3,4)5/h7,11H,1H2,2-6H3/b9-7+
InChIKeyUMECZBGZYZAKGT-VQHVLOKHSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z)-2,4,4-trimethyl-3-(methylsulfanylmethylidene)pent-1-ene
CID 126513851
3-(1,1-difluoroethyl)-2-methylpenta-1,3-diene
CID 123321601
(1E,4E)-2-ethenyl-3-ethylidene-N,6-dimethyl-5-(trifluoromethyl)hepta-1,4,6-trien-1-amine
CID 143763167
(3Z)-4-methyl-3-(methylaminomethylidene)penta-1,4-diene-2-thiol
CID 146552473
4-ethyl-3-ethylidene-2,4-dimethylhex-1-ene
CID 123616269
2-(aminomethylidene)-3,3-dimethylbutanoic acid;methyl 2-methylprop-2-enoate
CID 87354353
buta-1,3-diene;ethane;N-methylmethanamine;2-methylprop-1-ene
CID 145396267
N-methylmethanamine;bis(2-methylprop-2-enoic acid)
CID 175091080
(E)-2-ethyl-N,3,3-trimethylbut-1-en-1-amine
CID 130271953
(Z)-2-hydrazinyl-N,3,3-trimethylbut-1-en-1-amine
CID 145076612
(3Z)-3-tert-butyl-5-methoxyhexa-1,3,5-trien-2-ol
CID 143504031
N-methylmethanamine;2-methylprop-2-enamide
CID 87110078

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-tert-butyl-N,3-dimethylbuta-1,3-dien-1-amine?
The IUPAC name of (1Z)-2-tert-butyl-N,3-dimethylbuta-1,3-dien-1-amine (CID 129132612) is (1Z)-2-tert-butyl-N,3-dimethylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-2-tert-butyl-N,3-dimethylbuta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-2-tert-butyl-N,3-dimethylbuta-1,3-dien-1-amine is C=C(C)/C(=C\NC)C(C)(C)C.
What is the InChIKey of (1Z)-2-tert-butyl-N,3-dimethylbuta-1,3-dien-1-amine?
The InChIKey is UMECZBGZYZAKGT-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H19N/c1-8(2)9(7-11-6)10(3,4)5/h7,11H,1H2,2-6H3/b9-7+.
What are the key properties of (1Z)-2-tert-butyl-N,3-dimethylbuta-1,3-dien-1-amine?
(1Z)-2-tert-butyl-N,3-dimethylbuta-1,3-dien-1-amine has a molecular weight of 153.27 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-tert-butyl-N,3-dimethylbuta-1,3-dien-1-amine is sourced from PubChem (CID 129132612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).