N-piperidin-1-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine

C11H21N3 — CID 83014378

IUPACN-piperidin-1-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESC1CCN=C(NN2CCCCC2)CC1
InChIInChI=1S/C11H21N3/c1-3-7-11(12-8-4-1)13-14-9-5-2-6-10-14/h1-10H2,(H,12,13)
InChIKeyRDONMIPWOGOKOC-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.95
Rot. Bonds1

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

N-piperidin-1-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine (PubChem CID 83014378) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-piperidin-1-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine.

Molecular Properties

Compound NameN-piperidin-1-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine
PubChem CID83014378
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-piperidin-1-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESC1CCN=C(NN2CCCCC2)CC1
InChIInChI=1S/C11H21N3/c1-3-7-11(12-8-4-1)13-14-9-5-2-6-10-14/h1-10H2,(H,12,13)
InChIKeyRDONMIPWOGOKOC-UHFFFAOYSA-N
XLogP1.95
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-1-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The IUPAC name of N-piperidin-1-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine (CID 83014378) is N-piperidin-1-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine.
What is the SMILES notation for N-piperidin-1-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The canonical SMILES for N-piperidin-1-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine is C1CCN=C(NN2CCCCC2)CC1.
What is the InChIKey of N-piperidin-1-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The InChIKey is RDONMIPWOGOKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-3-7-11(12-8-4-1)13-14-9-5-2-6-10-14/h1-10H2,(H,12,13).
What are the key properties of N-piperidin-1-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
N-piperidin-1-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine has a molecular weight of 195.31 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-1-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine is sourced from PubChem (CID 83014378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).