CID 58169618

C9H12N2- — CID 58169618

IUPAC—
SMILESCC(C)N[C-]c1cccnc1
InChIInChI=1S/C9H12N2/c1-8(2)11-7-9-4-3-5-10-6-9/h3-6,8,11H,1-2H3/q-1
InChIKeyZDIXVGZLYANHTL-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.47
Rot. Bonds3

About CID 58169618

CID 58169618 (PubChem CID 58169618) has the molecular formula C9H12N2- and a molecular weight of 148.21 g/mol.

Molecular Properties

Compound NameCID 58169618
PubChem CID58169618
Molecular FormulaC9H12N2-
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name—
SMILESCC(C)N[C-]c1cccnc1
InChIInChI=1S/C9H12N2/c1-8(2)11-7-9-4-3-5-10-6-9/h3-6,8,11H,1-2H3/q-1
InChIKeyZDIXVGZLYANHTL-UHFFFAOYSA-N
XLogP1.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
N-pyridin-3-ylsulfanylpropan-2-amine
CID 145049132
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
N-propan-2-ylpyridine-3-carbothioamide
CID 10241412
(1R)-N-methoxy-2-methyl-1-pyridin-3-ylpropan-1-amine
CID 144904680
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
molecular hydrogen;1-(pyridin-3-ylamino)ethanethiol
CID 143056439
N,2-dimethyl-1-pyridin-3-ylpropan-1-amine
CID 50989033
N-[(4-pyridin-3-ylphenyl)methyl]propan-2-amine
CID 54911631
3-[(1R)-1-phenylethyl]pyridine
CID 13287121
3-[(1S)-1-chloroethyl]pyridine;hydrochloride
CID 171991541
N-methyl-N'-pyridin-3-ylmethanediamine
CID 115226589

Frequently Asked Questions

What is the IUPAC name of CID 58169618?
The IUPAC name of CID 58169618 (CID 58169618) is not available.
What is the SMILES notation for CID 58169618?
The canonical SMILES for CID 58169618 is CC(C)N[C-]c1cccnc1.
What is the InChIKey of CID 58169618?
The InChIKey is ZDIXVGZLYANHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-8(2)11-7-9-4-3-5-10-6-9/h3-6,8,11H,1-2H3/q-1.
What are the key properties of CID 58169618?
CID 58169618 has a molecular weight of 148.21 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58169618 is sourced from PubChem (CID 58169618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).