N-(1-pyridin-3-ylethyl)prop-2-yn-1-amine

C10H12N2 — CID 43176996

IUPACN-(1-pyridin-3-ylethyl)prop-2-yn-1-amine
SMILESC#CCNC(C)c1cccnc1
InChIInChI=1S/C10H12N2/c1-3-6-12-9(2)10-5-4-7-11-8-10/h1,4-5,7-9,12H,6H2,2H3
InChIKeyMMXSDPSKUWZJTQ-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.37
Rot. Bonds3

About N-(1-pyridin-3-ylethyl)prop-2-yn-1-amine

N-(1-pyridin-3-ylethyl)prop-2-yn-1-amine (PubChem CID 43176996) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is N-(1-pyridin-3-ylethyl)prop-2-yn-1-amine.

Molecular Properties

Compound NameN-(1-pyridin-3-ylethyl)prop-2-yn-1-amine
PubChem CID43176996
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC NameN-(1-pyridin-3-ylethyl)prop-2-yn-1-amine
SMILESC#CCNC(C)c1cccnc1
InChIInChI=1S/C10H12N2/c1-3-6-12-9(2)10-5-4-7-11-8-10/h1,4-5,7-9,12H,6H2,2H3
InChIKeyMMXSDPSKUWZJTQ-UHFFFAOYSA-N
XLogP1.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(1S)-1-pyridin-3-ylethyl]amino]acetonitrile
CID 81405202
(2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 93082162
4-[[(1S)-1-pyridin-3-ylethyl]amino]butanenitrile
CID 81404677
2,2,2-trifluoro-N-(1-pyridin-3-ylethyl)ethanamine
CID 24694524
(1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine
CID 28669732
(1S)-N-[(2-prop-2-ynoxyphenyl)methyl]-1-pyridin-3-ylethanamine
CID 28655941
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
N-[(1S)-1-pyridin-3-ylethyl]but-3-en-1-amine
CID 81404679
N-[(1R)-1-pyridin-3-ylethyl]heptan-1-amine
CID 81407138
N-[(1S)-1-pyridin-3-ylethyl]nonan-1-amine
CID 81404154
3-[[(1S)-1-pyridin-3-ylethyl]amino]propanoic acid
CID 81404422
N-(pyrazin-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 62762497

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-3-ylethyl)prop-2-yn-1-amine?
The IUPAC name of N-(1-pyridin-3-ylethyl)prop-2-yn-1-amine (CID 43176996) is N-(1-pyridin-3-ylethyl)prop-2-yn-1-amine.
What is the SMILES notation for N-(1-pyridin-3-ylethyl)prop-2-yn-1-amine?
The canonical SMILES for N-(1-pyridin-3-ylethyl)prop-2-yn-1-amine is C#CCNC(C)c1cccnc1.
What is the InChIKey of N-(1-pyridin-3-ylethyl)prop-2-yn-1-amine?
The InChIKey is MMXSDPSKUWZJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-3-6-12-9(2)10-5-4-7-11-8-10/h1,4-5,7-9,12H,6H2,2H3.
What are the key properties of N-(1-pyridin-3-ylethyl)prop-2-yn-1-amine?
N-(1-pyridin-3-ylethyl)prop-2-yn-1-amine has a molecular weight of 160.22 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-3-ylethyl)prop-2-yn-1-amine is sourced from PubChem (CID 43176996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).