N-(azepan-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

C14H27N3 — CID 113361626

IUPACN-(azepan-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESC1CNCCC(NC2CCN3CCCC3C2)C1
InChIInChI=1S/C14H27N3/c1-3-12(5-8-15-7-1)16-13-6-10-17-9-2-4-14(17)11-13/h12-16H,1-11H2
InChIKeyOVMRIAJMYIKDCG-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.34
Rot. Bonds2

About N-(azepan-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

N-(azepan-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (PubChem CID 113361626) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-(azepan-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.

Molecular Properties

Compound NameN-(azepan-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
PubChem CID113361626
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-(azepan-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESC1CNCCC(NC2CCN3CCCC3C2)C1
InChIInChI=1S/C14H27N3/c1-3-12(5-8-15-7-1)16-13-6-10-17-9-2-4-14(17)11-13/h12-16H,1-11H2
InChIKeyOVMRIAJMYIKDCG-UHFFFAOYSA-N
XLogP1.34
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(azepan-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine with MolForge

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Related Compounds

N-(3-propan-2-ylcyclohexyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 103847608
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112728592
N-(3-methylsulfanylcyclohexyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 103847622
N-(4-propylcyclohexyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112728588
N-(1-methylpyrrolidin-3-yl)azepan-4-amine
CID 103981819
1-azabicyclo[3.2.0]heptane;azepane
CID 57473310
1,4-diazabicyclo[6.2.0]decane
CID 118210284
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)morpholine-2-carboxamide;dihydrochloride
CID 119854357
N-(2-ethylcyclopentyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 115709909
N-(2-methylcyclopropyl)azepan-4-amine
CID 103982013
N-pyrimidin-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 75365664
4-(3-piperidin-1-ylpyrrolidin-1-yl)azepane
CID 63902936

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The IUPAC name of N-(azepan-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (CID 113361626) is N-(azepan-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.
What is the SMILES notation for N-(azepan-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The canonical SMILES for N-(azepan-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is C1CNCCC(NC2CCN3CCCC3C2)C1.
What is the InChIKey of N-(azepan-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The InChIKey is OVMRIAJMYIKDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-3-12(5-8-15-7-1)16-13-6-10-17-9-2-4-14(17)11-13/h12-16H,1-11H2.
What are the key properties of N-(azepan-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
N-(azepan-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine has a molecular weight of 237.39 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is sourced from PubChem (CID 113361626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).