N,N-dimethylazepan-3-amine

C8H18N2 — CID 56686919

IUPACN,N-dimethylazepan-3-amine
SMILESCN(C)C1CCCCNC1
InChIInChI=1S/C8H18N2/c1-10(2)8-5-3-4-6-9-7-8/h8-9H,3-7H2,1-2H3
InChIKeyRRKCNYMLYVVFAP-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.69
Rot. Bonds1

About N,N-dimethylazepan-3-amine

N,N-dimethylazepan-3-amine (PubChem CID 56686919) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N,N-dimethylazepan-3-amine.

Molecular Properties

Compound NameN,N-dimethylazepan-3-amine
PubChem CID56686919
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN,N-dimethylazepan-3-amine
SMILESCN(C)C1CCCCNC1
InChIInChI=1S/C8H18N2/c1-10(2)8-5-3-4-6-9-7-8/h8-9H,3-7H2,1-2H3
InChIKeyRRKCNYMLYVVFAP-UHFFFAOYSA-N
XLogP0.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylazepan-3-amine?
The IUPAC name of N,N-dimethylazepan-3-amine (CID 56686919) is N,N-dimethylazepan-3-amine.
What is the SMILES notation for N,N-dimethylazepan-3-amine?
The canonical SMILES for N,N-dimethylazepan-3-amine is CN(C)C1CCCCNC1.
What is the InChIKey of N,N-dimethylazepan-3-amine?
The InChIKey is RRKCNYMLYVVFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-10(2)8-5-3-4-6-9-7-8/h8-9H,3-7H2,1-2H3.
What are the key properties of N,N-dimethylazepan-3-amine?
N,N-dimethylazepan-3-amine has a molecular weight of 142.25 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylazepan-3-amine is sourced from PubChem (CID 56686919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).