3,3-dimethyl-N-prop-1-en-2-ylbut-1-en-2-amine

C9H17N — CID 126510317

IUPAC3,3-dimethyl-N-prop-1-en-2-ylbut-1-en-2-amine
SMILESC=C(C)NC(=C)C(C)(C)C
InChIInChI=1S/C9H17N/c1-7(2)10-8(3)9(4,5)6/h10H,1,3H2,2,4-6H3
InChIKeyWXYJDDUUOHWSKY-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.67
Rot. Bonds2

About 3,3-dimethyl-N-prop-1-en-2-ylbut-1-en-2-amine

3,3-dimethyl-N-prop-1-en-2-ylbut-1-en-2-amine (PubChem CID 126510317) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 3,3-dimethyl-N-prop-1-en-2-ylbut-1-en-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-prop-1-en-2-ylbut-1-en-2-amine
PubChem CID126510317
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name3,3-dimethyl-N-prop-1-en-2-ylbut-1-en-2-amine
SMILESC=C(C)NC(=C)C(C)(C)C
InChIInChI=1S/C9H17N/c1-7(2)10-8(3)9(4,5)6/h10H,1,3H2,2,4-6H3
InChIKeyWXYJDDUUOHWSKY-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3,3-trifluoro-N-prop-1-en-2-ylprop-1-en-2-amine
CID 155263831
2,2-dimethyl-N-prop-1-en-2-ylpropanamide
CID 89153386
N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethylpent-1-en-2-amine
CID 169262464
N-(3,3-dimethylbut-1-en-2-yl)-N'-(2-iodopropan-2-yl)-2,2-dimethylpropanimidamide
CID 175630574
3,3-dimethylbut-1-en-2-amine
CID 15393104
N-(1-fluoroethenyl)prop-1-en-2-amine
CID 145377112
3,3-dimethyl-N-(methylideneamino)but-1-en-2-amine;ethane
CID 155734617
(Z)-N-prop-1-en-2-ylbut-2-en-2-amine
CID 142199904
2-(prop-1-en-2-ylamino)propan-2-ol
CID 163466273
N-(3,3-dimethylbut-1-en-2-yl)-2,4-dimethylpent-1-en-3-amine;ethane
CID 142406278
2-(prop-1-en-2-ylamino)prop-2-enal
CID 89343212
(3Z,5Z)-N-prop-1-en-2-ylhepta-1,3,5-trien-2-amine
CID 137427597

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-prop-1-en-2-ylbut-1-en-2-amine?
The IUPAC name of 3,3-dimethyl-N-prop-1-en-2-ylbut-1-en-2-amine (CID 126510317) is 3,3-dimethyl-N-prop-1-en-2-ylbut-1-en-2-amine.
What is the SMILES notation for 3,3-dimethyl-N-prop-1-en-2-ylbut-1-en-2-amine?
The canonical SMILES for 3,3-dimethyl-N-prop-1-en-2-ylbut-1-en-2-amine is C=C(C)NC(=C)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-prop-1-en-2-ylbut-1-en-2-amine?
The InChIKey is WXYJDDUUOHWSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-7(2)10-8(3)9(4,5)6/h10H,1,3H2,2,4-6H3.
What are the key properties of 3,3-dimethyl-N-prop-1-en-2-ylbut-1-en-2-amine?
3,3-dimethyl-N-prop-1-en-2-ylbut-1-en-2-amine has a molecular weight of 139.24 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-prop-1-en-2-ylbut-1-en-2-amine is sourced from PubChem (CID 126510317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).