1-N-[2-(azepan-1-yl)ethyl]cyclobutane-1,3-diamine

C12H25N3 — CID 80560908

IUPAC1-N-[2-(azepan-1-yl)ethyl]cyclobutane-1,3-diamine
SMILESNC1CC(NCCN2CCCCCC2)C1
InChIInChI=1S/C12H25N3/c13-11-9-12(10-11)14-5-8-15-6-3-1-2-4-7-15/h11-12,14H,1-10,13H2
InChIKeyZGUISDWDQJIMFX-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.94
Rot. Bonds4

About 1-N-[2-(azepan-1-yl)ethyl]cyclobutane-1,3-diamine

1-N-[2-(azepan-1-yl)ethyl]cyclobutane-1,3-diamine (PubChem CID 80560908) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-N-[2-(azepan-1-yl)ethyl]cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-[2-(azepan-1-yl)ethyl]cyclobutane-1,3-diamine
PubChem CID80560908
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name1-N-[2-(azepan-1-yl)ethyl]cyclobutane-1,3-diamine
SMILESNC1CC(NCCN2CCCCCC2)C1
InChIInChI=1S/C12H25N3/c13-11-9-12(10-11)14-5-8-15-6-3-1-2-4-7-15/h11-12,14H,1-10,13H2
InChIKeyZGUISDWDQJIMFX-UHFFFAOYSA-N
XLogP0.94
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1,3-diamine
CID 80559719
N-[2-(azepan-1-yl)ethyl]cyclopropanamine
CID 54773126
N-(2-pyrrolidin-1-ylethyl)cyclohexanamine
CID 43181622
3-ethyl-N-(2-piperidin-1-ylethyl)cyclopentan-1-amine
CID 64500277
N-(2-pyrrolidin-1-ylethyl)cyclopropanamine
CID 54773109
N-[2-(azepan-1-yl)ethyl]-3-methoxycyclobutan-1-amine
CID 104870840
3-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)cyclobutan-1-amine
CID 103560886
N-[2-(azepan-1-yl)ethyl]thian-4-amine
CID 60751888
N-[2-(azepan-1-yl)ethyl]-3-phenylcyclobutan-1-amine
CID 61240000
1-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]cyclobutane-1,3-diamine
CID 170106320
3-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentan-1-amine
CID 64501657
N-[2-(azepan-1-yl)ethyl]-1-ethylpiperidin-4-amine
CID 61240570

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(azepan-1-yl)ethyl]cyclobutane-1,3-diamine?
The IUPAC name of 1-N-[2-(azepan-1-yl)ethyl]cyclobutane-1,3-diamine (CID 80560908) is 1-N-[2-(azepan-1-yl)ethyl]cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-[2-(azepan-1-yl)ethyl]cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-[2-(azepan-1-yl)ethyl]cyclobutane-1,3-diamine is NC1CC(NCCN2CCCCCC2)C1.
What is the InChIKey of 1-N-[2-(azepan-1-yl)ethyl]cyclobutane-1,3-diamine?
The InChIKey is ZGUISDWDQJIMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c13-11-9-12(10-11)14-5-8-15-6-3-1-2-4-7-15/h11-12,14H,1-10,13H2.
What are the key properties of 1-N-[2-(azepan-1-yl)ethyl]cyclobutane-1,3-diamine?
1-N-[2-(azepan-1-yl)ethyl]cyclobutane-1,3-diamine has a molecular weight of 211.35 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(azepan-1-yl)ethyl]cyclobutane-1,3-diamine is sourced from PubChem (CID 80560908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).