1-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)azepan-4-amine

C15H32N4 — CID 65077785

IUPAC1-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)azepan-4-amine
SMILESCCN1CCCC(N(C)CCN2CCNCC2)CC1
InChIInChI=1S/C15H32N4/c1-3-18-9-4-5-15(6-10-18)17(2)13-14-19-11-7-16-8-12-19/h15-16H,3-14H2,1-2H3
InChIKeyOPRIQORZLSIWQB-UHFFFAOYSA-N
MW268.45 g/mol
LogP0.70
Rot. Bonds5

About 1-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)azepan-4-amine

1-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)azepan-4-amine (PubChem CID 65077785) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is 1-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)azepan-4-amine.

Molecular Properties

Compound Name1-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)azepan-4-amine
PubChem CID65077785
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC Name1-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)azepan-4-amine
SMILESCCN1CCCC(N(C)CCN2CCNCC2)CC1
InChIInChI=1S/C15H32N4/c1-3-18-9-4-5-15(6-10-18)17(2)13-14-19-11-7-16-8-12-19/h15-16H,3-14H2,1-2H3
InChIKeyOPRIQORZLSIWQB-UHFFFAOYSA-N
XLogP0.70
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-methyl-N-(2-piperazin-1-ylethyl)cycloheptan-1-amine
CID 65094562
N-methyl-N-(3-piperazin-1-ylpropyl)cycloheptanamine
CID 117029722
N-methyl-N-(4-piperazin-1-ylbutyl)cyclohexanamine
CID 115240363
N-methyl-N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757824
N-[2-(1,4-diazepan-1-yl)ethyl]-N-methylthiolan-3-amine
CID 62832766
N'-methyl-N'-(1-propylazepan-4-yl)ethane-1,2-diamine
CID 65077334
N-(cyclobutylmethyl)-N-methyl-2-piperazin-1-ylethanamine
CID 62860620
N-[2-(1,4-diazepan-1-yl)ethyl]-N-propylcyclopropanamine
CID 62832391
2-[(1-ethylazepan-4-yl)-methylamino]acetic acid
CID 65077241
1-ethyl-N-methyl-N-(3-pyrrolidin-2-ylpropyl)piperidin-4-amine
CID 62478343
N-[2-(4-aminopiperidin-1-yl)ethyl]-N,1-dimethylpiperidin-3-amine
CID 79327766
2-[4-[2-(1,4-diazepan-1-yl)ethyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62887962

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)azepan-4-amine?
The IUPAC name of 1-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)azepan-4-amine (CID 65077785) is 1-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)azepan-4-amine.
What is the SMILES notation for 1-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)azepan-4-amine?
The canonical SMILES for 1-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)azepan-4-amine is CCN1CCCC(N(C)CCN2CCNCC2)CC1.
What is the InChIKey of 1-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)azepan-4-amine?
The InChIKey is OPRIQORZLSIWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-3-18-9-4-5-15(6-10-18)17(2)13-14-19-11-7-16-8-12-19/h15-16H,3-14H2,1-2H3.
What are the key properties of 1-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)azepan-4-amine?
1-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)azepan-4-amine has a molecular weight of 268.45 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)azepan-4-amine is sourced from PubChem (CID 65077785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).