2-[(1-methylpiperidin-2-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine

C13H25N3 — CID 142629570

IUPAC2-[(1-methylpiperidin-2-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCN1CCCCC1CC1CCCCC(N)=N1
InChIInChI=1S/C13H25N3/c1-16-9-5-4-7-12(16)10-11-6-2-3-8-13(14)15-11/h11-12H,2-10H2,1H3,(H2,14,15)
InChIKeyZMCOUGKATCQXOU-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.16
Rot. Bonds2

About 2-[(1-methylpiperidin-2-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine

2-[(1-methylpiperidin-2-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine (PubChem CID 142629570) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-[(1-methylpiperidin-2-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine.

Molecular Properties

Compound Name2-[(1-methylpiperidin-2-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
PubChem CID142629570
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-[(1-methylpiperidin-2-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCN1CCCCC1CC1CCCCC(N)=N1
InChIInChI=1S/C13H25N3/c1-16-9-5-4-7-12(16)10-11-6-2-3-8-13(14)15-11/h11-12H,2-10H2,1H3,(H2,14,15)
InChIKeyZMCOUGKATCQXOU-UHFFFAOYSA-N
XLogP2.16
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpiperidin-2-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The IUPAC name of 2-[(1-methylpiperidin-2-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine (CID 142629570) is 2-[(1-methylpiperidin-2-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine.
What is the SMILES notation for 2-[(1-methylpiperidin-2-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The canonical SMILES for 2-[(1-methylpiperidin-2-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine is CN1CCCCC1CC1CCCCC(N)=N1.
What is the InChIKey of 2-[(1-methylpiperidin-2-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The InChIKey is ZMCOUGKATCQXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-16-9-5-4-7-12(16)10-11-6-2-3-8-13(14)15-11/h11-12H,2-10H2,1H3,(H2,14,15).
What are the key properties of 2-[(1-methylpiperidin-2-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine?
2-[(1-methylpiperidin-2-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine has a molecular weight of 223.36 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpiperidin-2-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine is sourced from PubChem (CID 142629570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).