3-[[(2-propylcyclopropyl)amino]methyl]benzonitrile;hydrochloride

C14H19ClN2 — CID 115664716

IUPAC3-[[(2-propylcyclopropyl)amino]methyl]benzonitrile;hydrochloride
SMILESCCCC1CC1NCc1cccc(C#N)c1.Cl
InChIInChI=1S/C14H18N2.ClH/c1-2-4-13-8-14(13)16-10-12-6-3-5-11(7-12)9-15;/h3,5-7,13-14,16H,2,4,8,10H2,1H3;1H
InChIKeyFGKNQBJQIVQISN-UHFFFAOYSA-N
MW250.77 g/mol
LogP3.26
Rot. Bonds5

About 3-[[(2-propylcyclopropyl)amino]methyl]benzonitrile;hydrochloride

3-[[(2-propylcyclopropyl)amino]methyl]benzonitrile;hydrochloride (PubChem CID 115664716) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 3-[[(2-propylcyclopropyl)amino]methyl]benzonitrile;hydrochloride.

Molecular Properties

Compound Name3-[[(2-propylcyclopropyl)amino]methyl]benzonitrile;hydrochloride
PubChem CID115664716
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name3-[[(2-propylcyclopropyl)amino]methyl]benzonitrile;hydrochloride
SMILESCCCC1CC1NCc1cccc(C#N)c1.Cl
InChIInChI=1S/C14H18N2.ClH/c1-2-4-13-8-14(13)16-10-12-6-3-5-11(7-12)9-15;/h3,5-7,13-14,16H,2,4,8,10H2,1H3;1H
InChIKeyFGKNQBJQIVQISN-UHFFFAOYSA-N
XLogP3.26
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(2-propylcyclopropyl)amino]methyl]benzonitrile
CID 103711563
3-[[(2,3-dimethylcyclopentyl)amino]methyl]benzonitrile
CID 64908206
N-[(3,4-dimethylphenyl)methyl]-2-propylcyclopropan-1-amine
CID 103711594
3-[[[(1R,2S)-2-hydroxycyclohexyl]amino]methyl]benzonitrile
CID 93355798
3-[[(2-hydroxycyclohexyl)amino]methyl]benzonitrile
CID 55024109
3-[[[(1S,2R)-2-tert-butylcyclohexyl]amino]methyl]benzonitrile
CID 51683301
3-[[(1,2,5-trimethylpiperidin-4-yl)amino]methyl]benzonitrile
CID 54936135
3-[[(4-methoxycyclohexyl)amino]methyl]benzonitrile
CID 113414372
tert-butyl N-[2-[(3-cyanophenyl)methylamino]cyclopropyl]carbamate
CID 107238080
3-[[[4-(cyanomethyl)cyclohexyl]amino]methyl]benzonitrile;propane
CID 145394544
4-[2-[(3-cyanophenyl)methylamino]cyclopropyl]benzamide
CID 174858317
3-[[(3-methylcyclopentyl)methylamino]methyl]benzonitrile
CID 107411828

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-propylcyclopropyl)amino]methyl]benzonitrile;hydrochloride?
The IUPAC name of 3-[[(2-propylcyclopropyl)amino]methyl]benzonitrile;hydrochloride (CID 115664716) is 3-[[(2-propylcyclopropyl)amino]methyl]benzonitrile;hydrochloride.
What is the SMILES notation for 3-[[(2-propylcyclopropyl)amino]methyl]benzonitrile;hydrochloride?
The canonical SMILES for 3-[[(2-propylcyclopropyl)amino]methyl]benzonitrile;hydrochloride is CCCC1CC1NCc1cccc(C#N)c1.Cl.
What is the InChIKey of 3-[[(2-propylcyclopropyl)amino]methyl]benzonitrile;hydrochloride?
The InChIKey is FGKNQBJQIVQISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2.ClH/c1-2-4-13-8-14(13)16-10-12-6-3-5-11(7-12)9-15;/h3,5-7,13-14,16H,2,4,8,10H2,1H3;1H.
What are the key properties of 3-[[(2-propylcyclopropyl)amino]methyl]benzonitrile;hydrochloride?
3-[[(2-propylcyclopropyl)amino]methyl]benzonitrile;hydrochloride has a molecular weight of 250.77 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-propylcyclopropyl)amino]methyl]benzonitrile;hydrochloride is sourced from PubChem (CID 115664716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).