1-(6,6-dimethylazepin-2-yl)piperidin-4-amine

C13H21N3 — CID 170244555

IUPAC1-(6,6-dimethylazepin-2-yl)piperidin-4-amine
SMILESCC1(C)C=CC=C(N2CCC(N)CC2)N=C1
InChIInChI=1S/C13H21N3/c1-13(2)7-3-4-12(15-10-13)16-8-5-11(14)6-9-16/h3-4,7,10-11H,5-6,8-9,14H2,1-2H3
InChIKeyRJKKAYSPEVABFG-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.92
Rot. Bonds1

About 1-(6,6-dimethylazepin-2-yl)piperidin-4-amine

1-(6,6-dimethylazepin-2-yl)piperidin-4-amine (PubChem CID 170244555) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(6,6-dimethylazepin-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(6,6-dimethylazepin-2-yl)piperidin-4-amine
PubChem CID170244555
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-(6,6-dimethylazepin-2-yl)piperidin-4-amine
SMILESCC1(C)C=CC=C(N2CCC(N)CC2)N=C1
InChIInChI=1S/C13H21N3/c1-13(2)7-3-4-12(15-10-13)16-8-5-11(14)6-9-16/h3-4,7,10-11H,5-6,8-9,14H2,1-2H3
InChIKeyRJKKAYSPEVABFG-UHFFFAOYSA-N
XLogP1.92
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6,6-dimethylazepin-2-yl)piperidin-4-amine?
The IUPAC name of 1-(6,6-dimethylazepin-2-yl)piperidin-4-amine (CID 170244555) is 1-(6,6-dimethylazepin-2-yl)piperidin-4-amine.
What is the SMILES notation for 1-(6,6-dimethylazepin-2-yl)piperidin-4-amine?
The canonical SMILES for 1-(6,6-dimethylazepin-2-yl)piperidin-4-amine is CC1(C)C=CC=C(N2CCC(N)CC2)N=C1.
What is the InChIKey of 1-(6,6-dimethylazepin-2-yl)piperidin-4-amine?
The InChIKey is RJKKAYSPEVABFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-13(2)7-3-4-12(15-10-13)16-8-5-11(14)6-9-16/h3-4,7,10-11H,5-6,8-9,14H2,1-2H3.
What are the key properties of 1-(6,6-dimethylazepin-2-yl)piperidin-4-amine?
1-(6,6-dimethylazepin-2-yl)piperidin-4-amine has a molecular weight of 219.33 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,6-dimethylazepin-2-yl)piperidin-4-amine is sourced from PubChem (CID 170244555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).