3-[(dibutylamino)methyl]cyclopentan-1-amine

C14H30N2 — CID 66008000

IUPAC3-[(dibutylamino)methyl]cyclopentan-1-amine
SMILESCCCCN(CCCC)CC1CCC(N)C1
InChIInChI=1S/C14H30N2/c1-3-5-9-16(10-6-4-2)12-13-7-8-14(15)11-13/h13-14H,3-12,15H2,1-2H3
InChIKeyRXPJCDZCVGOMMK-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.02
Rot. Bonds8

About 3-[(dibutylamino)methyl]cyclopentan-1-amine

3-[(dibutylamino)methyl]cyclopentan-1-amine (PubChem CID 66008000) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 3-[(dibutylamino)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-[(dibutylamino)methyl]cyclopentan-1-amine
PubChem CID66008000
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name3-[(dibutylamino)methyl]cyclopentan-1-amine
SMILESCCCCN(CCCC)CC1CCC(N)C1
InChIInChI=1S/C14H30N2/c1-3-5-9-16(10-6-4-2)12-13-7-8-14(15)11-13/h13-14H,3-12,15H2,1-2H3
InChIKeyRXPJCDZCVGOMMK-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(dibutylamino)methyl]cyclopentan-1-amine?
The IUPAC name of 3-[(dibutylamino)methyl]cyclopentan-1-amine (CID 66008000) is 3-[(dibutylamino)methyl]cyclopentan-1-amine.
What is the SMILES notation for 3-[(dibutylamino)methyl]cyclopentan-1-amine?
The canonical SMILES for 3-[(dibutylamino)methyl]cyclopentan-1-amine is CCCCN(CCCC)CC1CCC(N)C1.
What is the InChIKey of 3-[(dibutylamino)methyl]cyclopentan-1-amine?
The InChIKey is RXPJCDZCVGOMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-3-5-9-16(10-6-4-2)12-13-7-8-14(15)11-13/h13-14H,3-12,15H2,1-2H3.
What are the key properties of 3-[(dibutylamino)methyl]cyclopentan-1-amine?
3-[(dibutylamino)methyl]cyclopentan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dibutylamino)methyl]cyclopentan-1-amine is sourced from PubChem (CID 66008000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).