2-ethenyl-2,4-dimethylpentan-1-amine

C9H19N — CID 102640269

IUPAC2-ethenyl-2,4-dimethylpentan-1-amine
SMILESC=CC(C)(CN)CC(C)C
InChIInChI=1S/C9H19N/c1-5-9(4,7-10)6-8(2)3/h5,8H,1,6-7,10H2,2-4H3
InChIKeyPSUBOKJKGIWLGA-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.18
Rot. Bonds4

About 2-ethenyl-2,4-dimethylpentan-1-amine

2-ethenyl-2,4-dimethylpentan-1-amine (PubChem CID 102640269) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 2-ethenyl-2,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name2-ethenyl-2,4-dimethylpentan-1-amine
PubChem CID102640269
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name2-ethenyl-2,4-dimethylpentan-1-amine
SMILESC=CC(C)(CN)CC(C)C
InChIInChI=1S/C9H19N/c1-5-9(4,7-10)6-8(2)3/h5,8H,1,6-7,10H2,2-4H3
InChIKeyPSUBOKJKGIWLGA-UHFFFAOYSA-N
XLogP2.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)-3,5-dimethylhex-1-ene
CID 102642065
2-methyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine
CID 102640415
2-(2-methoxyethyl)-2-methylbut-3-en-1-amine
CID 102640309
(2R)-2-amino-2-ethenyl-4-methylpentanoic acid
CID 10511127
N,3,5-trimethylhex-1-en-3-amine
CID 145461541
CID 22228898
CID 22228898
2-(2-ethylsulfonylethyl)-2-methylbut-3-en-1-amine
CID 102640370
1-amino-2,4-dimethylpentan-2-ol;hydrochloride
CID 137460110
2-methyl-2-[(2,4,6-trimethylphenyl)methyl]but-3-en-1-amine
CID 102640281
4-[2-(aminomethyl)-2-methylbut-3-enyl]phenol
CID 102640315
2-[(4-fluorophenyl)methyl]-2-methylbut-3-en-1-amine
CID 102640274
2,4-dimethyl-2-N-propan-2-ylpentane-1,2-diamine
CID 62066796

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2,4-dimethylpentan-1-amine?
The IUPAC name of 2-ethenyl-2,4-dimethylpentan-1-amine (CID 102640269) is 2-ethenyl-2,4-dimethylpentan-1-amine.
What is the SMILES notation for 2-ethenyl-2,4-dimethylpentan-1-amine?
The canonical SMILES for 2-ethenyl-2,4-dimethylpentan-1-amine is C=CC(C)(CN)CC(C)C.
What is the InChIKey of 2-ethenyl-2,4-dimethylpentan-1-amine?
The InChIKey is PSUBOKJKGIWLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-5-9(4,7-10)6-8(2)3/h5,8H,1,6-7,10H2,2-4H3.
What are the key properties of 2-ethenyl-2,4-dimethylpentan-1-amine?
2-ethenyl-2,4-dimethylpentan-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2,4-dimethylpentan-1-amine is sourced from PubChem (CID 102640269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).