N-[[1-(dimethylamino)cyclopentyl]methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine

C14H27N3 — CID 83120394

IUPACN-[[1-(dimethylamino)cyclopentyl]methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCN(C)C1(CNC2=NCCCCC2)CCCC1
InChIInChI=1S/C14H27N3/c1-17(2)14(9-5-6-10-14)12-16-13-8-4-3-7-11-15-13/h3-12H2,1-2H3,(H,15,16)
InChIKeyQWOYFBMOQMDMLD-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.42
Rot. Bonds3

About N-[[1-(dimethylamino)cyclopentyl]methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine

N-[[1-(dimethylamino)cyclopentyl]methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine (PubChem CID 83120394) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclopentyl]methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclopentyl]methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
PubChem CID83120394
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-[[1-(dimethylamino)cyclopentyl]methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCN(C)C1(CNC2=NCCCCC2)CCCC1
InChIInChI=1S/C14H27N3/c1-17(2)14(9-5-6-10-14)12-16-13-8-4-3-7-11-15-13/h3-12H2,1-2H3,(H,15,16)
InChIKeyQWOYFBMOQMDMLD-UHFFFAOYSA-N
XLogP2.42
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine (CID 83120394) is N-[[1-(dimethylamino)cyclopentyl]methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclopentyl]methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclopentyl]methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine is CN(C)C1(CNC2=NCCCCC2)CCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclopentyl]methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The InChIKey is QWOYFBMOQMDMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-17(2)14(9-5-6-10-14)12-16-13-8-4-3-7-11-15-13/h3-12H2,1-2H3,(H,15,16).
What are the key properties of N-[[1-(dimethylamino)cyclopentyl]methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine?
N-[[1-(dimethylamino)cyclopentyl]methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine has a molecular weight of 237.39 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclopentyl]methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine is sourced from PubChem (CID 83120394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).