1-(aminomethyl)-N-butyl-N-cyclopropylcyclobutan-1-amine

C12H24N2 — CID 79521257

IUPAC1-(aminomethyl)-N-butyl-N-cyclopropylcyclobutan-1-amine
SMILESCCCCN(C1CC1)C1(CN)CCC1
InChIInChI=1S/C12H24N2/c1-2-3-9-14(11-5-6-11)12(10-13)7-4-8-12/h11H,2-10,13H2,1H3
InChIKeyPJEUQVGYZCGWGA-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.13
Rot. Bonds6

About 1-(aminomethyl)-N-butyl-N-cyclopropylcyclobutan-1-amine

1-(aminomethyl)-N-butyl-N-cyclopropylcyclobutan-1-amine (PubChem CID 79521257) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-(aminomethyl)-N-butyl-N-cyclopropylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-butyl-N-cyclopropylcyclobutan-1-amine
PubChem CID79521257
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-(aminomethyl)-N-butyl-N-cyclopropylcyclobutan-1-amine
SMILESCCCCN(C1CC1)C1(CN)CCC1
InChIInChI=1S/C12H24N2/c1-2-3-9-14(11-5-6-11)12(10-13)7-4-8-12/h11H,2-10,13H2,1H3
InChIKeyPJEUQVGYZCGWGA-UHFFFAOYSA-N
XLogP2.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-butyl-N-cyclopropylcyclobutan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-butyl-N-cyclopropylcyclobutan-1-amine (CID 79521257) is 1-(aminomethyl)-N-butyl-N-cyclopropylcyclobutan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-butyl-N-cyclopropylcyclobutan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-butyl-N-cyclopropylcyclobutan-1-amine is CCCCN(C1CC1)C1(CN)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-butyl-N-cyclopropylcyclobutan-1-amine?
The InChIKey is PJEUQVGYZCGWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-2-3-9-14(11-5-6-11)12(10-13)7-4-8-12/h11H,2-10,13H2,1H3.
What are the key properties of 1-(aminomethyl)-N-butyl-N-cyclopropylcyclobutan-1-amine?
1-(aminomethyl)-N-butyl-N-cyclopropylcyclobutan-1-amine has a molecular weight of 196.34 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-butyl-N-cyclopropylcyclobutan-1-amine is sourced from PubChem (CID 79521257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).