N-but-2-ynyl-2-methyl-1-pyridin-3-ylpropan-1-amine

C13H18N2 — CID 115898770

IUPACN-but-2-ynyl-2-methyl-1-pyridin-3-ylpropan-1-amine
SMILESCC#CCNC(c1cccnc1)C(C)C
InChIInChI=1S/C13H18N2/c1-4-5-9-15-13(11(2)3)12-7-6-8-14-10-12/h6-8,10-11,13,15H,9H2,1-3H3
InChIKeyLSKSGGYBVLKSQV-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.39
Rot. Bonds4

About N-but-2-ynyl-2-methyl-1-pyridin-3-ylpropan-1-amine

N-but-2-ynyl-2-methyl-1-pyridin-3-ylpropan-1-amine (PubChem CID 115898770) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-but-2-ynyl-2-methyl-1-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound NameN-but-2-ynyl-2-methyl-1-pyridin-3-ylpropan-1-amine
PubChem CID115898770
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN-but-2-ynyl-2-methyl-1-pyridin-3-ylpropan-1-amine
SMILESCC#CCNC(c1cccnc1)C(C)C
InChIInChI=1S/C13H18N2/c1-4-5-9-15-13(11(2)3)12-7-6-8-14-10-12/h6-8,10-11,13,15H,9H2,1-3H3
InChIKeyLSKSGGYBVLKSQV-UHFFFAOYSA-N
XLogP2.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.39
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

N,2-dimethyl-1-pyridin-3-ylpropan-1-amine
CID 50989033
2-methyl-N-(2-methylsulfanylpropyl)-1-pyridin-3-ylpropan-1-amine
CID 115898744
(1R)-N-methoxy-2-methyl-1-pyridin-3-ylpropan-1-amine
CID 144904680
2-methyl-1-phenyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 43225601
2-[[(1S)-1-pyridin-3-ylethyl]amino]acetonitrile
CID 81405202
N-(1-pyridin-3-ylethyl)prop-2-yn-1-amine
CID 43176996
2-methyl-N-propyl-1-pyridin-3-ylbutan-1-amine
CID 63716862
2-methyl-N-propyl-1-pyridin-3-ylpentan-1-amine
CID 115799813
N-(1-pyrimidin-5-ylethyl)but-2-yn-1-amine
CID 130668721
N-[1-(3-fluoro-4-pyridinyl)ethyl]but-2-yn-1-amine
CID 130616226
4,4,4-trifluoro-N-(2-methyl-1-pyridin-3-ylpropyl)butanamide
CID 118783705
3-(3,3-dimethylbutan-2-yl)pyridine
CID 59751404

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-2-methyl-1-pyridin-3-ylpropan-1-amine?
The IUPAC name of N-but-2-ynyl-2-methyl-1-pyridin-3-ylpropan-1-amine (CID 115898770) is N-but-2-ynyl-2-methyl-1-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for N-but-2-ynyl-2-methyl-1-pyridin-3-ylpropan-1-amine?
The canonical SMILES for N-but-2-ynyl-2-methyl-1-pyridin-3-ylpropan-1-amine is CC#CCNC(c1cccnc1)C(C)C.
What is the InChIKey of N-but-2-ynyl-2-methyl-1-pyridin-3-ylpropan-1-amine?
The InChIKey is LSKSGGYBVLKSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-4-5-9-15-13(11(2)3)12-7-6-8-14-10-12/h6-8,10-11,13,15H,9H2,1-3H3.
What are the key properties of N-but-2-ynyl-2-methyl-1-pyridin-3-ylpropan-1-amine?
N-but-2-ynyl-2-methyl-1-pyridin-3-ylpropan-1-amine has a molecular weight of 202.30 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-2-methyl-1-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 115898770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).