2-methyl-N-prop-2-enylpropan-1-amine

C7H15N — CID 11062339

IUPAC2-methyl-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)C
InChIInChI=1S/C7H15N/c1-4-5-8-6-7(2)3/h4,7-8H,1,5-6H2,2-3H3
InChIKeyDNUGOKVTBKQMNS-UHFFFAOYSA-N
MW113.20 g/mol
LogP1.42
Rot. Bonds4

About 2-methyl-N-prop-2-enylpropan-1-amine

2-methyl-N-prop-2-enylpropan-1-amine (PubChem CID 11062339) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is 2-methyl-N-prop-2-enylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-prop-2-enylpropan-1-amine
PubChem CID11062339
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name2-methyl-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)C
InChIInChI=1S/C7H15N/c1-4-5-8-6-7(2)3/h4,7-8H,1,5-6H2,2-3H3
InChIKeyDNUGOKVTBKQMNS-UHFFFAOYSA-N
XLogP1.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-prop-2-enylpropan-1-amine?
The IUPAC name of 2-methyl-N-prop-2-enylpropan-1-amine (CID 11062339) is 2-methyl-N-prop-2-enylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-prop-2-enylpropan-1-amine?
The canonical SMILES for 2-methyl-N-prop-2-enylpropan-1-amine is C=CCNCC(C)C.
What is the InChIKey of 2-methyl-N-prop-2-enylpropan-1-amine?
The InChIKey is DNUGOKVTBKQMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N/c1-4-5-8-6-7(2)3/h4,7-8H,1,5-6H2,2-3H3.
What are the key properties of 2-methyl-N-prop-2-enylpropan-1-amine?
2-methyl-N-prop-2-enylpropan-1-amine has a molecular weight of 113.20 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-prop-2-enylpropan-1-amine is sourced from PubChem (CID 11062339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).