N,N,3-trimethylazepan-3-amine

C9H20N2 — CID 130118359

IUPACN,N,3-trimethylazepan-3-amine
SMILESCN(C)C1(C)CCCCNC1
InChIInChI=1S/C9H20N2/c1-9(11(2)3)6-4-5-7-10-8-9/h10H,4-8H2,1-3H3
InChIKeyDRFVUAOIIHLWLK-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.08
Rot. Bonds1

About N,N,3-trimethylazepan-3-amine

N,N,3-trimethylazepan-3-amine (PubChem CID 130118359) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N,N,3-trimethylazepan-3-amine.

Molecular Properties

Compound NameN,N,3-trimethylazepan-3-amine
PubChem CID130118359
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN,N,3-trimethylazepan-3-amine
SMILESCN(C)C1(C)CCCCNC1
InChIInChI=1S/C9H20N2/c1-9(11(2)3)6-4-5-7-10-8-9/h10H,4-8H2,1-3H3
InChIKeyDRFVUAOIIHLWLK-UHFFFAOYSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethylazepan-3-amine?
The IUPAC name of N,N,3-trimethylazepan-3-amine (CID 130118359) is N,N,3-trimethylazepan-3-amine.
What is the SMILES notation for N,N,3-trimethylazepan-3-amine?
The canonical SMILES for N,N,3-trimethylazepan-3-amine is CN(C)C1(C)CCCCNC1.
What is the InChIKey of N,N,3-trimethylazepan-3-amine?
The InChIKey is DRFVUAOIIHLWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-9(11(2)3)6-4-5-7-10-8-9/h10H,4-8H2,1-3H3.
What are the key properties of N,N,3-trimethylazepan-3-amine?
N,N,3-trimethylazepan-3-amine has a molecular weight of 156.27 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethylazepan-3-amine is sourced from PubChem (CID 130118359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).