N-prop-2-ynylpropan-1-amine

C6H11N — CID 4724212

IUPACN-prop-2-ynylpropan-1-amine
SMILESC#CCNCCC
InChIInChI=1S/C6H11N/c1-3-5-7-6-4-2/h1,7H,4-6H2,2H3
InChIKeyMDMPAKJUMKBYNQ-UHFFFAOYSA-N
MW97.16 g/mol
LogP0.62
Rot. Bonds3

About N-prop-2-ynylpropan-1-amine

N-prop-2-ynylpropan-1-amine (PubChem CID 4724212) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is N-prop-2-ynylpropan-1-amine.

Molecular Properties

Compound NameN-prop-2-ynylpropan-1-amine
PubChem CID4724212
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC NameN-prop-2-ynylpropan-1-amine
SMILESC#CCNCCC
InChIInChI=1S/C6H11N/c1-3-5-7-6-4-2/h1,7H,4-6H2,2H3
InChIKeyMDMPAKJUMKBYNQ-UHFFFAOYSA-N
XLogP0.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynylpropan-1-amine?
The IUPAC name of N-prop-2-ynylpropan-1-amine (CID 4724212) is N-prop-2-ynylpropan-1-amine.
What is the SMILES notation for N-prop-2-ynylpropan-1-amine?
The canonical SMILES for N-prop-2-ynylpropan-1-amine is C#CCNCCC.
What is the InChIKey of N-prop-2-ynylpropan-1-amine?
The InChIKey is MDMPAKJUMKBYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-3-5-7-6-4-2/h1,7H,4-6H2,2H3.
What are the key properties of N-prop-2-ynylpropan-1-amine?
N-prop-2-ynylpropan-1-amine has a molecular weight of 97.16 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynylpropan-1-amine is sourced from PubChem (CID 4724212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).