N-(3-methylbutyl)cyclopropanamine

C8H17N — CID 16771607

IUPACN-(3-methylbutyl)cyclopropanamine
SMILESCC(C)CCNC1CC1
InChIInChI=1S/C8H17N/c1-7(2)5-6-9-8-3-4-8/h7-9H,3-6H2,1-2H3
InChIKeyDFCGUBWPNVTPFC-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.78
Rot. Bonds4

About N-(3-methylbutyl)cyclopropanamine

N-(3-methylbutyl)cyclopropanamine (PubChem CID 16771607) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is N-(3-methylbutyl)cyclopropanamine.

Molecular Properties

Compound NameN-(3-methylbutyl)cyclopropanamine
PubChem CID16771607
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC NameN-(3-methylbutyl)cyclopropanamine
SMILESCC(C)CCNC1CC1
InChIInChI=1S/C8H17N/c1-7(2)5-6-9-8-3-4-8/h7-9H,3-6H2,1-2H3
InChIKeyDFCGUBWPNVTPFC-UHFFFAOYSA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.78
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?
The IUPAC name of N-(3-methylbutyl)cyclopropanamine (CID 16771607) is N-(3-methylbutyl)cyclopropanamine.
What is the SMILES notation for N-(3-methylbutyl)cyclopropanamine?
The canonical SMILES for N-(3-methylbutyl)cyclopropanamine is CC(C)CCNC1CC1.
What is the InChIKey of N-(3-methylbutyl)cyclopropanamine?
The InChIKey is DFCGUBWPNVTPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-7(2)5-6-9-8-3-4-8/h7-9H,3-6H2,1-2H3.
What are the key properties of N-(3-methylbutyl)cyclopropanamine?
N-(3-methylbutyl)cyclopropanamine has a molecular weight of 127.23 g/mol, XLogP of 1.78, 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 is sourced from PubChem (CID 16771607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).