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

C11H21N3 — CID 79507925

IUPACN-(1-methylpyrrolidin-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCN1CCC(NC2=NCCCCC2)C1
InChIInChI=1S/C11H21N3/c1-14-8-6-10(9-14)13-11-5-3-2-4-7-12-11/h10H,2-9H2,1H3,(H,12,13)
InChIKeyHVSQAEOFLNJQMV-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.25
Rot. Bonds1

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

N-(1-methylpyrrolidin-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine (PubChem CID 79507925) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-(1-methylpyrrolidin-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine.

Molecular Properties

Compound NameN-(1-methylpyrrolidin-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
PubChem CID79507925
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-(1-methylpyrrolidin-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCN1CCC(NC2=NCCCCC2)C1
InChIInChI=1S/C11H21N3/c1-14-8-6-10(9-14)13-11-5-3-2-4-7-12-11/h10H,2-9H2,1H3,(H,12,13)
InChIKeyHVSQAEOFLNJQMV-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrrolidin-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The IUPAC name of N-(1-methylpyrrolidin-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine (CID 79507925) is N-(1-methylpyrrolidin-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine.
What is the SMILES notation for N-(1-methylpyrrolidin-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The canonical SMILES for N-(1-methylpyrrolidin-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine is CN1CCC(NC2=NCCCCC2)C1.
What is the InChIKey of N-(1-methylpyrrolidin-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The InChIKey is HVSQAEOFLNJQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-14-8-6-10(9-14)13-11-5-3-2-4-7-12-11/h10H,2-9H2,1H3,(H,12,13).
What are the key properties of N-(1-methylpyrrolidin-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
N-(1-methylpyrrolidin-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine has a molecular weight of 195.31 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrrolidin-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine is sourced from PubChem (CID 79507925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).