1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]azepan-4-amine

C14H30N4 — CID 65070783

IUPAC1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]azepan-4-amine
SMILESCN1CCCC(NCCN2CCN(C)CC2)CC1
InChIInChI=1S/C14H30N4/c1-16-7-3-4-14(5-8-16)15-6-9-18-12-10-17(2)11-13-18/h14-15H,3-13H2,1-2H3
InChIKeyIYPRAMIIRYYBPX-UHFFFAOYSA-N
MW254.42 g/mol
LogP0.31
Rot. Bonds4

About 1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]azepan-4-amine

1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]azepan-4-amine (PubChem CID 65070783) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]azepan-4-amine.

Molecular Properties

Compound Name1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]azepan-4-amine
PubChem CID65070783
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC Name1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]azepan-4-amine
SMILESCN1CCCC(NCCN2CCN(C)CC2)CC1
InChIInChI=1S/C14H30N4/c1-16-7-3-4-14(5-8-16)15-6-9-18-12-10-17(2)11-13-18/h14-15H,3-13H2,1-2H3
InChIKeyIYPRAMIIRYYBPX-UHFFFAOYSA-N
XLogP0.31
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentanamine
CID 60701361
N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexanamine
CID 60701363
N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]cyclooctanamine
CID 71383118
N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]cyclopentanamine
CID 62569104
3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 60701471
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-prop-2-ynylpiperidin-4-amine
CID 54860858
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-oxothian-4-amine
CID 54981584
N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptanamine;N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptanamine
CID 159997450
N-(2-pyrrolidin-1-ylethyl)cyclohexanamine
CID 43181622
N-(2-pyrrolidin-1-ylethyl)cyclopropanamine
CID 54773109
2-[(1-methylazepan-4-yl)amino]ethylurea
CID 83111293
N-(cyclobutylmethyl)-1-methylazepan-4-amine
CID 65070057

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]azepan-4-amine?
The IUPAC name of 1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]azepan-4-amine (CID 65070783) is 1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]azepan-4-amine.
What is the SMILES notation for 1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]azepan-4-amine?
The canonical SMILES for 1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]azepan-4-amine is CN1CCCC(NCCN2CCN(C)CC2)CC1.
What is the InChIKey of 1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]azepan-4-amine?
The InChIKey is IYPRAMIIRYYBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-16-7-3-4-14(5-8-16)15-6-9-18-12-10-17(2)11-13-18/h14-15H,3-13H2,1-2H3.
What are the key properties of 1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]azepan-4-amine?
1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]azepan-4-amine has a molecular weight of 254.42 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]azepan-4-amine is sourced from PubChem (CID 65070783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).