1-[(2-ethylazepan-1-yl)methyl]cyclobutan-1-amine

C13H26N2 — CID 104690395

IUPAC1-[(2-ethylazepan-1-yl)methyl]cyclobutan-1-amine
SMILESCCC1CCCCCN1CC1(N)CCC1
InChIInChI=1S/C13H26N2/c1-2-12-7-4-3-5-10-15(12)11-13(14)8-6-9-13/h12H,2-11,14H2,1H3
InChIKeyUVHPJSXOPCRCML-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.52
Rot. Bonds3

About 1-[(2-ethylazepan-1-yl)methyl]cyclobutan-1-amine

1-[(2-ethylazepan-1-yl)methyl]cyclobutan-1-amine (PubChem CID 104690395) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-[(2-ethylazepan-1-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[(2-ethylazepan-1-yl)methyl]cyclobutan-1-amine
PubChem CID104690395
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-[(2-ethylazepan-1-yl)methyl]cyclobutan-1-amine
SMILESCCC1CCCCCN1CC1(N)CCC1
InChIInChI=1S/C13H26N2/c1-2-12-7-4-3-5-10-15(12)11-13(14)8-6-9-13/h12H,2-11,14H2,1H3
InChIKeyUVHPJSXOPCRCML-UHFFFAOYSA-N
XLogP2.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylazepan-1-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 1-[(2-ethylazepan-1-yl)methyl]cyclobutan-1-amine (CID 104690395) is 1-[(2-ethylazepan-1-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[(2-ethylazepan-1-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 1-[(2-ethylazepan-1-yl)methyl]cyclobutan-1-amine is CCC1CCCCCN1CC1(N)CCC1.
What is the InChIKey of 1-[(2-ethylazepan-1-yl)methyl]cyclobutan-1-amine?
The InChIKey is UVHPJSXOPCRCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-2-12-7-4-3-5-10-15(12)11-13(14)8-6-9-13/h12H,2-11,14H2,1H3.
What are the key properties of 1-[(2-ethylazepan-1-yl)methyl]cyclobutan-1-amine?
1-[(2-ethylazepan-1-yl)methyl]cyclobutan-1-amine has a molecular weight of 210.36 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylazepan-1-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 104690395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).