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

C7H17N — CID 174893746

IUPAC2-methylpropane;prop-1-en-2-amine
SMILESC=C(C)N.CC(C)C
InChIInChI=1S/C4H10.C3H7N/c1-4(2)3;1-3(2)4/h4H,1-3H3;1,4H2,2H3
InChIKeyQBXZBGGRCXTAHF-UHFFFAOYSA-N
MW115.22 g/mol
LogP2.14
Rot. Bonds

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

2-methylpropane;prop-1-en-2-amine (PubChem CID 174893746) has the molecular formula C7H17N and a molecular weight of 115.22 g/mol. Its IUPAC name is 2-methylpropane;prop-1-en-2-amine.

Molecular Properties

Compound Name2-methylpropane;prop-1-en-2-amine
PubChem CID174893746
Molecular FormulaC7H17N
Molecular Weight115.22 g/mol
Exact Mass115.14
IUPAC Name2-methylpropane;prop-1-en-2-amine
SMILESC=C(C)N.CC(C)C
InChIInChI=1S/C4H10.C3H7N/c1-4(2)3;1-3(2)4/h4H,1-3H3;1,4H2,2H3
InChIKeyQBXZBGGRCXTAHF-UHFFFAOYSA-N
XLogP2.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.22
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;prop-1-en-2-amine?
The IUPAC name of 2-methylpropane;prop-1-en-2-amine (CID 174893746) is 2-methylpropane;prop-1-en-2-amine.
What is the SMILES notation for 2-methylpropane;prop-1-en-2-amine?
The canonical SMILES for 2-methylpropane;prop-1-en-2-amine is C=C(C)N.CC(C)C.
What is the InChIKey of 2-methylpropane;prop-1-en-2-amine?
The InChIKey is QBXZBGGRCXTAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C3H7N/c1-4(2)3;1-3(2)4/h4H,1-3H3;1,4H2,2H3.
What are the key properties of 2-methylpropane;prop-1-en-2-amine?
2-methylpropane;prop-1-en-2-amine has a molecular weight of 115.22 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;prop-1-en-2-amine is sourced from PubChem (CID 174893746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).