N-(1-cyclopropylpropyl)aniline;hydrochloride

C12H18ClN — CID 174269039

IUPACN-(1-cyclopropylpropyl)aniline;hydrochloride
SMILESCCC(Nc1ccccc1)C1CC1.Cl
InChIInChI=1S/C12H17N.ClH/c1-2-12(10-8-9-10)13-11-6-4-3-5-7-11;/h3-7,10,12-13H,2,8-9H2,1H3;1H
InChIKeySVGOTNPVAPJMPV-UHFFFAOYSA-N
MW211.74 g/mol
LogP3.71
Rot. Bonds4

About N-(1-cyclopropylpropyl)aniline;hydrochloride

N-(1-cyclopropylpropyl)aniline;hydrochloride (PubChem CID 174269039) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is N-(1-cyclopropylpropyl)aniline;hydrochloride.

Molecular Properties

Compound NameN-(1-cyclopropylpropyl)aniline;hydrochloride
PubChem CID174269039
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC NameN-(1-cyclopropylpropyl)aniline;hydrochloride
SMILESCCC(Nc1ccccc1)C1CC1.Cl
InChIInChI=1S/C12H17N.ClH/c1-2-12(10-8-9-10)13-11-6-4-3-5-7-11;/h3-7,10,12-13H,2,8-9H2,1H3;1H
InChIKeySVGOTNPVAPJMPV-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.74
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(oxolan-3-yl)propyl]aniline
CID 115729358
4-(1-cyclopropylpropylamino)phenol
CID 64918837
N-(1-cyclopropylpropyl)-4-fluoroaniline
CID 64918794
N-(1-cyclopropylpropyl)-3-propan-2-ylaniline
CID 64918380
3-(1-cyclopropylpropylamino)benzonitrile
CID 64918582
N-(1-cyclopropylpropyl)-3-(trifluoromethyl)aniline
CID 64920498
2-[4-(1-cyclopropylpropylamino)phenyl]acetonitrile
CID 64919481
2-anilino-2-cyclopentylethanol
CID 62071600
1-cyclopentyl-N-phenylethane-1,2-diamine
CID 65380108
methyl 4-(1-cyclopropylpropylamino)benzoate
CID 64917542
N-(1-cyclopropylpropyl)naphthalen-1-amine
CID 64919441
N-(1-cyclopropyl-2-methylpropyl)aniline
CID 115729363

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropyl)aniline;hydrochloride?
The IUPAC name of N-(1-cyclopropylpropyl)aniline;hydrochloride (CID 174269039) is N-(1-cyclopropylpropyl)aniline;hydrochloride.
What is the SMILES notation for N-(1-cyclopropylpropyl)aniline;hydrochloride?
The canonical SMILES for N-(1-cyclopropylpropyl)aniline;hydrochloride is CCC(Nc1ccccc1)C1CC1.Cl.
What is the InChIKey of N-(1-cyclopropylpropyl)aniline;hydrochloride?
The InChIKey is SVGOTNPVAPJMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.ClH/c1-2-12(10-8-9-10)13-11-6-4-3-5-7-11;/h3-7,10,12-13H,2,8-9H2,1H3;1H.
What are the key properties of N-(1-cyclopropylpropyl)aniline;hydrochloride?
N-(1-cyclopropylpropyl)aniline;hydrochloride has a molecular weight of 211.74 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropyl)aniline;hydrochloride is sourced from PubChem (CID 174269039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).