2-methylpropane;prop-2-en-1-amine

C7H17N — CID 161130166

IUPAC2-methylpropane;prop-2-en-1-amine
SMILESC=CCN.CC(C)C
InChIInChI=1S/C4H10.C3H7N/c1-4(2)3;1-2-3-4/h4H,1-3H3;2H,1,3-4H2
InChIKeyUMBOSNPZJCXVQH-UHFFFAOYSA-N
MW115.22 g/mol
LogP1.79
Rot. Bonds1

About 2-methylpropane;prop-2-en-1-amine

2-methylpropane;prop-2-en-1-amine (PubChem CID 161130166) has the molecular formula C7H17N and a molecular weight of 115.22 g/mol. Its IUPAC name is 2-methylpropane;prop-2-en-1-amine.

Molecular Properties

Compound Name2-methylpropane;prop-2-en-1-amine
PubChem CID161130166
Molecular FormulaC7H17N
Molecular Weight115.22 g/mol
Exact Mass115.14
IUPAC Name2-methylpropane;prop-2-en-1-amine
SMILESC=CCN.CC(C)C
InChIInChI=1S/C4H10.C3H7N/c1-4(2)3;1-2-3-4/h4H,1-3H3;2H,1,3-4H2
InChIKeyUMBOSNPZJCXVQH-UHFFFAOYSA-N
XLogP1.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.22
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;prop-2-en-1-amine?
The IUPAC name of 2-methylpropane;prop-2-en-1-amine (CID 161130166) is 2-methylpropane;prop-2-en-1-amine.
What is the SMILES notation for 2-methylpropane;prop-2-en-1-amine?
The canonical SMILES for 2-methylpropane;prop-2-en-1-amine is C=CCN.CC(C)C.
What is the InChIKey of 2-methylpropane;prop-2-en-1-amine?
The InChIKey is UMBOSNPZJCXVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C3H7N/c1-4(2)3;1-2-3-4/h4H,1-3H3;2H,1,3-4H2.
What are the key properties of 2-methylpropane;prop-2-en-1-amine?
2-methylpropane;prop-2-en-1-amine has a molecular weight of 115.22 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;prop-2-en-1-amine is sourced from PubChem (CID 161130166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).