2-methyl-N-(2-methylprop-2-enyl)propan-1-amine

C8H17N — CID 20518350

IUPAC2-methyl-N-(2-methylprop-2-enyl)propan-1-amine
SMILESC=C(C)CNCC(C)C
InChIInChI=1S/C8H17N/c1-7(2)5-9-6-8(3)4/h8-9H,1,5-6H2,2-4H3
InChIKeyVQELOBGJXJRQIO-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.81
Rot. Bonds4

About 2-methyl-N-(2-methylprop-2-enyl)propan-1-amine

2-methyl-N-(2-methylprop-2-enyl)propan-1-amine (PubChem CID 20518350) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 2-methyl-N-(2-methylprop-2-enyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylprop-2-enyl)propan-1-amine
PubChem CID20518350
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name2-methyl-N-(2-methylprop-2-enyl)propan-1-amine
SMILESC=C(C)CNCC(C)C
InChIInChI=1S/C8H17N/c1-7(2)5-9-6-8(3)4/h8-9H,1,5-6H2,2-4H3
InChIKeyVQELOBGJXJRQIO-UHFFFAOYSA-N
XLogP1.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.81
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

(2-methylprop-2-enylamino)methanol
CID 19091971
CID 175939227
CID 175939227
N-methyl-2-(2-methylprop-2-enylamino)-N-propan-2-ylacetamide
CID 114616817
2,4-dimethyl-N-(2-methylpropyl)pent-2-en-1-amine
CID 79341169
2-acetamido-3-(2-methylprop-2-enylamino)propanoic acid
CID 114616873
2-N-ethyl-2-N-(2-methylprop-2-enyl)-1-N-(2-methylpropyl)propane-1,2-diamine
CID 62419582
2-methyl-N-(2-methylpropyl)propan-1-amine;hydrochloride
CID 519535
2-methyl-N-[[2-(2-methylprop-2-enyl)cyclobutyl]methyl]propan-1-amine
CID 81021977
1-ethoxy-3-(2-methylprop-2-enylamino)propan-2-ol
CID 114616793
2,3-dimethyl-1-(2-methylpropylamino)but-3-en-2-ol
CID 79178435
N-(2-methylprop-2-enyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 60690147
methyl 2-(2-methylpropylamino)acetate
CID 22175789

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylprop-2-enyl)propan-1-amine?
The IUPAC name of 2-methyl-N-(2-methylprop-2-enyl)propan-1-amine (CID 20518350) is 2-methyl-N-(2-methylprop-2-enyl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylprop-2-enyl)propan-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylprop-2-enyl)propan-1-amine is C=C(C)CNCC(C)C.
What is the InChIKey of 2-methyl-N-(2-methylprop-2-enyl)propan-1-amine?
The InChIKey is VQELOBGJXJRQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-7(2)5-9-6-8(3)4/h8-9H,1,5-6H2,2-4H3.
What are the key properties of 2-methyl-N-(2-methylprop-2-enyl)propan-1-amine?
2-methyl-N-(2-methylprop-2-enyl)propan-1-amine has a molecular weight of 127.23 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylprop-2-enyl)propan-1-amine is sourced from PubChem (CID 20518350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).