N-(3-methylbutyl)cyclopropanamine;hydrochloride

C8H18ClN — CID 24686262

IUPACN-(3-methylbutyl)cyclopropanamine;hydrochloride
SMILESCC(C)CCNC1CC1.Cl
InChIInChI=1S/C8H17N.ClH/c1-7(2)5-6-9-8-3-4-8;/h7-9H,3-6H2,1-2H3;1H
InChIKeyWMDAHDJMIPZODA-UHFFFAOYSA-N
MW163.69 g/mol
LogP2.21
Rot. Bonds4

About N-(3-methylbutyl)cyclopropanamine;hydrochloride

N-(3-methylbutyl)cyclopropanamine;hydrochloride (PubChem CID 24686262) has the molecular formula C8H18ClN and a molecular weight of 163.69 g/mol. Its IUPAC name is N-(3-methylbutyl)cyclopropanamine;hydrochloride.

Molecular Properties

Compound NameN-(3-methylbutyl)cyclopropanamine;hydrochloride
PubChem CID24686262
Molecular FormulaC8H18ClN
Molecular Weight163.69 g/mol
Exact Mass163.11
IUPAC NameN-(3-methylbutyl)cyclopropanamine;hydrochloride
SMILESCC(C)CCNC1CC1.Cl
InChIInChI=1S/C8H17N.ClH/c1-7(2)5-6-9-8-3-4-8;/h7-9H,3-6H2,1-2H3;1H
InChIKeyWMDAHDJMIPZODA-UHFFFAOYSA-N
XLogP2.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.69
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)cyclopropanamine;hydrochloride?
The IUPAC name of N-(3-methylbutyl)cyclopropanamine;hydrochloride (CID 24686262) is N-(3-methylbutyl)cyclopropanamine;hydrochloride.
What is the SMILES notation for N-(3-methylbutyl)cyclopropanamine;hydrochloride?
The canonical SMILES for N-(3-methylbutyl)cyclopropanamine;hydrochloride is CC(C)CCNC1CC1.Cl.
What is the InChIKey of N-(3-methylbutyl)cyclopropanamine;hydrochloride?
The InChIKey is WMDAHDJMIPZODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.ClH/c1-7(2)5-6-9-8-3-4-8;/h7-9H,3-6H2,1-2H3;1H.
What are the key properties of N-(3-methylbutyl)cyclopropanamine;hydrochloride?
N-(3-methylbutyl)cyclopropanamine;hydrochloride has a molecular weight of 163.69 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)cyclopropanamine;hydrochloride is sourced from PubChem (CID 24686262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).