N-prop-2-enylpropan-2-amine

C6H13N — CID 520711

IUPACN-prop-2-enylpropan-2-amine
SMILESC=CCNC(C)C
InChIInChI=1S/C6H13N/c1-4-5-7-6(2)3/h4,6-7H,1,5H2,2-3H3
InChIKeyOWUBKHTYXCOYMM-UHFFFAOYSA-N
MW99.18 g/mol
LogP1.17
Rot. Bonds3

About N-prop-2-enylpropan-2-amine

N-prop-2-enylpropan-2-amine (PubChem CID 520711) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is N-prop-2-enylpropan-2-amine.

Molecular Properties

Compound NameN-prop-2-enylpropan-2-amine
PubChem CID520711
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC NameN-prop-2-enylpropan-2-amine
SMILESC=CCNC(C)C
InChIInChI=1S/C6H13N/c1-4-5-7-6(2)3/h4,6-7H,1,5H2,2-3H3
InChIKeyOWUBKHTYXCOYMM-UHFFFAOYSA-N
XLogP1.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 51.17
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 N-prop-2-enylpropan-2-amine?
The IUPAC name of N-prop-2-enylpropan-2-amine (CID 520711) is N-prop-2-enylpropan-2-amine.
What is the SMILES notation for N-prop-2-enylpropan-2-amine?
The canonical SMILES for N-prop-2-enylpropan-2-amine is C=CCNC(C)C.
What is the InChIKey of N-prop-2-enylpropan-2-amine?
The InChIKey is OWUBKHTYXCOYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N/c1-4-5-7-6(2)3/h4,6-7H,1,5H2,2-3H3.
What are the key properties of N-prop-2-enylpropan-2-amine?
N-prop-2-enylpropan-2-amine has a molecular weight of 99.18 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylpropan-2-amine is sourced from PubChem (CID 520711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).