2-(3-propan-2-ylazetidin-1-yl)cycloheptan-1-amine

C13H26N2 — CID 79678858

IUPAC2-(3-propan-2-ylazetidin-1-yl)cycloheptan-1-amine
SMILESCC(C)C1CN(C2CCCCCC2N)C1
InChIInChI=1S/C13H26N2/c1-10(2)11-8-15(9-11)13-7-5-3-4-6-12(13)14/h10-13H,3-9,14H2,1-2H3
InChIKeyBGDIHIMIYHIYKB-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.23
Rot. Bonds2

About 2-(3-propan-2-ylazetidin-1-yl)cycloheptan-1-amine

2-(3-propan-2-ylazetidin-1-yl)cycloheptan-1-amine (PubChem CID 79678858) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-(3-propan-2-ylazetidin-1-yl)cycloheptan-1-amine.

Molecular Properties

Compound Name2-(3-propan-2-ylazetidin-1-yl)cycloheptan-1-amine
PubChem CID79678858
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name2-(3-propan-2-ylazetidin-1-yl)cycloheptan-1-amine
SMILESCC(C)C1CN(C2CCCCCC2N)C1
InChIInChI=1S/C13H26N2/c1-10(2)11-8-15(9-11)13-7-5-3-4-6-12(13)14/h10-13H,3-9,14H2,1-2H3
InChIKeyBGDIHIMIYHIYKB-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-ylazetidin-1-yl)cycloheptan-1-amine?
The IUPAC name of 2-(3-propan-2-ylazetidin-1-yl)cycloheptan-1-amine (CID 79678858) is 2-(3-propan-2-ylazetidin-1-yl)cycloheptan-1-amine.
What is the SMILES notation for 2-(3-propan-2-ylazetidin-1-yl)cycloheptan-1-amine?
The canonical SMILES for 2-(3-propan-2-ylazetidin-1-yl)cycloheptan-1-amine is CC(C)C1CN(C2CCCCCC2N)C1.
What is the InChIKey of 2-(3-propan-2-ylazetidin-1-yl)cycloheptan-1-amine?
The InChIKey is BGDIHIMIYHIYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-10(2)11-8-15(9-11)13-7-5-3-4-6-12(13)14/h10-13H,3-9,14H2,1-2H3.
What are the key properties of 2-(3-propan-2-ylazetidin-1-yl)cycloheptan-1-amine?
2-(3-propan-2-ylazetidin-1-yl)cycloheptan-1-amine has a molecular weight of 210.36 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-ylazetidin-1-yl)cycloheptan-1-amine is sourced from PubChem (CID 79678858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).