N-(2,6-dimethylpiperidin-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine

C13H25N3 — CID 83014719

IUPACN-(2,6-dimethylpiperidin-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCC1CCCC(C)N1NC1=NCCCCC1
InChIInChI=1S/C13H25N3/c1-11-7-6-8-12(2)16(11)15-13-9-4-3-5-10-14-13/h11-12H,3-10H2,1-2H3,(H,14,15)
InChIKeyQVNRVXWKMHIEID-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.73
Rot. Bonds1

About N-(2,6-dimethylpiperidin-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine

N-(2,6-dimethylpiperidin-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine (PubChem CID 83014719) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-(2,6-dimethylpiperidin-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine.

Molecular Properties

Compound NameN-(2,6-dimethylpiperidin-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
PubChem CID83014719
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-(2,6-dimethylpiperidin-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCC1CCCC(C)N1NC1=NCCCCC1
InChIInChI=1S/C13H25N3/c1-11-7-6-8-12(2)16(11)15-13-9-4-3-5-10-14-13/h11-12H,3-10H2,1-2H3,(H,14,15)
InChIKeyQVNRVXWKMHIEID-UHFFFAOYSA-N
XLogP2.73
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylpiperidin-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The IUPAC name of N-(2,6-dimethylpiperidin-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine (CID 83014719) is N-(2,6-dimethylpiperidin-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine.
What is the SMILES notation for N-(2,6-dimethylpiperidin-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The canonical SMILES for N-(2,6-dimethylpiperidin-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine is CC1CCCC(C)N1NC1=NCCCCC1.
What is the InChIKey of N-(2,6-dimethylpiperidin-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The InChIKey is QVNRVXWKMHIEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-11-7-6-8-12(2)16(11)15-13-9-4-3-5-10-14-13/h11-12H,3-10H2,1-2H3,(H,14,15).
What are the key properties of N-(2,6-dimethylpiperidin-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
N-(2,6-dimethylpiperidin-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine has a molecular weight of 223.36 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylpiperidin-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine is sourced from PubChem (CID 83014719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).