N-(3-methylbutan-2-yl)cyclopropanamine

C8H17N — CID 16772546

IUPACN-(3-methylbutan-2-yl)cyclopropanamine
SMILESCC(C)C(C)NC1CC1
InChIInChI=1S/C8H17N/c1-6(2)7(3)9-8-4-5-8/h6-9H,4-5H2,1-3H3
InChIKeyNMZNLAPAPRESJL-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.78
Rot. Bonds3

About N-(3-methylbutan-2-yl)cyclopropanamine

N-(3-methylbutan-2-yl)cyclopropanamine (PubChem CID 16772546) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)cyclopropanamine.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)cyclopropanamine
PubChem CID16772546
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC NameN-(3-methylbutan-2-yl)cyclopropanamine
SMILESCC(C)C(C)NC1CC1
InChIInChI=1S/C8H17N/c1-6(2)7(3)9-8-4-5-8/h6-9H,4-5H2,1-3H3
InChIKeyNMZNLAPAPRESJL-UHFFFAOYSA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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-methylbutan-2-yl)cyclopropanamine?
The IUPAC name of N-(3-methylbutan-2-yl)cyclopropanamine (CID 16772546) is N-(3-methylbutan-2-yl)cyclopropanamine.
What is the SMILES notation for N-(3-methylbutan-2-yl)cyclopropanamine?
The canonical SMILES for N-(3-methylbutan-2-yl)cyclopropanamine is CC(C)C(C)NC1CC1.
What is the InChIKey of N-(3-methylbutan-2-yl)cyclopropanamine?
The InChIKey is NMZNLAPAPRESJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-6(2)7(3)9-8-4-5-8/h6-9H,4-5H2,1-3H3.
What are the key properties of N-(3-methylbutan-2-yl)cyclopropanamine?
N-(3-methylbutan-2-yl)cyclopropanamine has a molecular weight of 127.23 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)cyclopropanamine is sourced from PubChem (CID 16772546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).