N-[(1,4-dimethylpiperazin-2-yl)methyl]azepan-4-amine

C13H28N4 — CID 103982170

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]azepan-4-amine
SMILESCN1CCN(C)C(CNC2CCCNCC2)C1
InChIInChI=1S/C13H28N4/c1-16-8-9-17(2)13(11-16)10-15-12-4-3-6-14-7-5-12/h12-15H,3-11H2,1-2H3
InChIKeyXHXLTWUEMPHHNK-UHFFFAOYSA-N
MW240.39 g/mol
LogP-0.04
Rot. Bonds3

About N-[(1,4-dimethylpiperazin-2-yl)methyl]azepan-4-amine

N-[(1,4-dimethylpiperazin-2-yl)methyl]azepan-4-amine (PubChem CID 103982170) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]azepan-4-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]azepan-4-amine
PubChem CID103982170
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]azepan-4-amine
SMILESCN1CCN(C)C(CNC2CCCNCC2)C1
InChIInChI=1S/C13H28N4/c1-16-8-9-17(2)13(11-16)10-15-12-4-3-6-14-7-5-12/h12-15H,3-11H2,1-2H3
InChIKeyXHXLTWUEMPHHNK-UHFFFAOYSA-N
XLogP-0.04
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Piperidin-4-yl-azepane hydrochloride
CID 24747019
Bis(3-aminopropyl)piperazine
CID 22056761
N-(2-Piperidylmethyl)-dimethylamine
CID 252484
2-(2-Methylpiperidin-1-yl)ethan-1-amine
CID 3149263
N,1-dimethyl-N-[2-(methylamino)ethyl]piperidin-4-amine
CID 28598734
1-(Piperidin-4-yl)azepane
CID 795725
Piperidine, 2-(((2-(diethylamino)ethyl)amino)methyl)-1,6-dimethyl-
CID 201021
1-(1-Ethylpiperidin-4-yl)-1,4-diazepane
CID 61057953
1-Ethylpiperidine-2-methylamine
CID 3015941
dimethyl({[(2R)-piperidin-2-yl]methyl})amine
CID 6993259
Methyl[(1-methylpiperidin-2-yl)methyl]amine
CID 10240913
1-(Azepan-1-yl)propan-2-amine
CID 16643484

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]azepan-4-amine?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]azepan-4-amine (CID 103982170) is N-[(1,4-dimethylpiperazin-2-yl)methyl]azepan-4-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]azepan-4-amine?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]azepan-4-amine is CN1CCN(C)C(CNC2CCCNCC2)C1.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]azepan-4-amine?
The InChIKey is XHXLTWUEMPHHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-16-8-9-17(2)13(11-16)10-15-12-4-3-6-14-7-5-12/h12-15H,3-11H2,1-2H3.
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]azepan-4-amine?
N-[(1,4-dimethylpiperazin-2-yl)methyl]azepan-4-amine has a molecular weight of 240.39 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]azepan-4-amine is sourced from PubChem (CID 103982170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).