(1Z)-N-tert-butyl-2,3-dimethyl-N-prop-1-en-2-ylbuta-1,3-dien-1-amine

C13H23N — CID 87058010

IUPAC(1Z)-N-tert-butyl-2,3-dimethyl-N-prop-1-en-2-ylbuta-1,3-dien-1-amine
SMILESC=C(C)/C(C)=C\N(C(=C)C)C(C)(C)C
InChIInChI=1S/C13H23N/c1-10(2)12(5)9-14(11(3)4)13(6,7)8/h9H,1,3H2,2,4-8H3/b12-9-
InChIKeyWQORRYWLIZGKLU-XFXZXTDPSA-N
MW193.33 g/mol
LogP4.10
Rot. Bonds3

About (1Z)-N-tert-butyl-2,3-dimethyl-N-prop-1-en-2-ylbuta-1,3-dien-1-amine

(1Z)-N-tert-butyl-2,3-dimethyl-N-prop-1-en-2-ylbuta-1,3-dien-1-amine (PubChem CID 87058010) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (1Z)-N-tert-butyl-2,3-dimethyl-N-prop-1-en-2-ylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-N-tert-butyl-2,3-dimethyl-N-prop-1-en-2-ylbuta-1,3-dien-1-amine
PubChem CID87058010
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(1Z)-N-tert-butyl-2,3-dimethyl-N-prop-1-en-2-ylbuta-1,3-dien-1-amine
SMILESC=C(C)/C(C)=C\N(C(=C)C)C(C)(C)C
InChIInChI=1S/C13H23N/c1-10(2)12(5)9-14(11(3)4)13(6,7)8/h9H,1,3H2,2,4-8H3/b12-9-
InChIKeyWQORRYWLIZGKLU-XFXZXTDPSA-N
XLogP4.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1Z)-N-tert-butyl-2,3-dimethyl-N-prop-1-en-2-ylbuta-1,3-dien-1-amine with MolForge

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Related Compounds

N,N-diethyl-3-methylbuta-1,3-dien-1-amine
CID 54108669
N,N-diethyl-2-methylbut-1-en-1-amine
CID 123267023
N,2-dimethyl-N-prop-1-en-2-ylbut-1-en-1-amine
CID 123338825
Diethyl-methyl-(2-methylbut-1-enyl)azanium
CID 123350579
N,3-dimethyl-N-propylbuta-1,3-dien-2-amine
CID 126604262
N,3-dimethyl-N-propan-2-ylbuta-1,3-dien-2-amine
CID 130317529
N-tert-butyl-N-methylbut-1-en-2-amine
CID 130344121
N-butyl-N,3-dimethylbuta-1,3-dien-2-amine
CID 135269001
3-methyl-N,N-dipropylbuta-1,3-dien-2-amine
CID 138502975
N-ethyl-2-methyl-N-prop-1-en-2-ylpropan-2-amine
CID 138728739
N,3,3-trimethyl-N-(2-methylprop-1-enyl)but-1-en-2-amine
CID 139543577
N-ethenyl-N-ethylprop-1-en-2-amine;(3Z)-3-methylhexa-1,3,5-triene
CID 142104146

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-tert-butyl-2,3-dimethyl-N-prop-1-en-2-ylbuta-1,3-dien-1-amine?
The IUPAC name of (1Z)-N-tert-butyl-2,3-dimethyl-N-prop-1-en-2-ylbuta-1,3-dien-1-amine (CID 87058010) is (1Z)-N-tert-butyl-2,3-dimethyl-N-prop-1-en-2-ylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-N-tert-butyl-2,3-dimethyl-N-prop-1-en-2-ylbuta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-N-tert-butyl-2,3-dimethyl-N-prop-1-en-2-ylbuta-1,3-dien-1-amine is C=C(C)/C(C)=C\N(C(=C)C)C(C)(C)C.
What is the InChIKey of (1Z)-N-tert-butyl-2,3-dimethyl-N-prop-1-en-2-ylbuta-1,3-dien-1-amine?
The InChIKey is WQORRYWLIZGKLU-XFXZXTDPSA-N. The full InChI is InChI=1S/C13H23N/c1-10(2)12(5)9-14(11(3)4)13(6,7)8/h9H,1,3H2,2,4-8H3/b12-9-.
What are the key properties of (1Z)-N-tert-butyl-2,3-dimethyl-N-prop-1-en-2-ylbuta-1,3-dien-1-amine?
(1Z)-N-tert-butyl-2,3-dimethyl-N-prop-1-en-2-ylbuta-1,3-dien-1-amine has a molecular weight of 193.33 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-tert-butyl-2,3-dimethyl-N-prop-1-en-2-ylbuta-1,3-dien-1-amine is sourced from PubChem (CID 87058010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).