N-(cyclobutylmethyl)butan-2-amine

C9H19N — CID 43298341

IUPACN-(cyclobutylmethyl)butan-2-amine
SMILESCCC(C)NCC1CCC1
InChIInChI=1S/C9H19N/c1-3-8(2)10-7-9-5-4-6-9/h8-10H,3-7H2,1-2H3
InChIKeyLWVXBLXVJSZKCO-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.17
Rot. Bonds4

About N-(cyclobutylmethyl)butan-2-amine

N-(cyclobutylmethyl)butan-2-amine (PubChem CID 43298341) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is N-(cyclobutylmethyl)butan-2-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)butan-2-amine
PubChem CID43298341
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC NameN-(cyclobutylmethyl)butan-2-amine
SMILESCCC(C)NCC1CCC1
InChIInChI=1S/C9H19N/c1-3-8(2)10-7-9-5-4-6-9/h8-10H,3-7H2,1-2H3
InChIKeyLWVXBLXVJSZKCO-UHFFFAOYSA-N
XLogP2.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)butan-2-amine?
The IUPAC name of N-(cyclobutylmethyl)butan-2-amine (CID 43298341) is N-(cyclobutylmethyl)butan-2-amine.
What is the SMILES notation for N-(cyclobutylmethyl)butan-2-amine?
The canonical SMILES for N-(cyclobutylmethyl)butan-2-amine is CCC(C)NCC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)butan-2-amine?
The InChIKey is LWVXBLXVJSZKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-3-8(2)10-7-9-5-4-6-9/h8-10H,3-7H2,1-2H3.
What are the key properties of N-(cyclobutylmethyl)butan-2-amine?
N-(cyclobutylmethyl)butan-2-amine has a molecular weight of 141.26 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)butan-2-amine is sourced from PubChem (CID 43298341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).