N-cyclopropylaniline;hydrochloride

C9H12ClN — CID 44717153

IUPACN-cyclopropylaniline;hydrochloride
SMILESCl.c1ccc(NC2CC2)cc1
InChIInChI=1S/C9H11N.ClH/c1-2-4-8(5-3-1)10-9-6-7-9;/h1-5,9-10H,6-7H2;1H
InChIKeySMEWATLYUJNDOM-UHFFFAOYSA-N
MW169.66 g/mol
LogP2.68
Rot. Bonds2

About N-cyclopropylaniline;hydrochloride

N-cyclopropylaniline;hydrochloride (PubChem CID 44717153) has the molecular formula C9H12ClN and a molecular weight of 169.66 g/mol. Its IUPAC name is N-cyclopropylaniline;hydrochloride.

Molecular Properties

Compound NameN-cyclopropylaniline;hydrochloride
PubChem CID44717153
Molecular FormulaC9H12ClN
Molecular Weight169.66 g/mol
Exact Mass169.07
IUPAC NameN-cyclopropylaniline;hydrochloride
SMILESCl.c1ccc(NC2CC2)cc1
InChIInChI=1S/C9H11N.ClH/c1-2-4-8(5-3-1)10-9-6-7-9;/h1-5,9-10H,6-7H2;1H
InChIKeySMEWATLYUJNDOM-UHFFFAOYSA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.66
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropylaniline;hydrochloride?
The IUPAC name of N-cyclopropylaniline;hydrochloride (CID 44717153) is N-cyclopropylaniline;hydrochloride.
What is the SMILES notation for N-cyclopropylaniline;hydrochloride?
The canonical SMILES for N-cyclopropylaniline;hydrochloride is Cl.c1ccc(NC2CC2)cc1.
What is the InChIKey of N-cyclopropylaniline;hydrochloride?
The InChIKey is SMEWATLYUJNDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.ClH/c1-2-4-8(5-3-1)10-9-6-7-9;/h1-5,9-10H,6-7H2;1H.
What are the key properties of N-cyclopropylaniline;hydrochloride?
N-cyclopropylaniline;hydrochloride has a molecular weight of 169.66 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylaniline;hydrochloride is sourced from PubChem (CID 44717153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).