[1-methyl-4-(3,4,5-trimethylpiperazin-1-yl)azepan-4-yl]methanamine

C15H32N4 — CID 114537563

IUPAC[1-methyl-4-(3,4,5-trimethylpiperazin-1-yl)azepan-4-yl]methanamine
SMILESCC1CN(C2(CN)CCCN(C)CC2)CC(C)N1C
InChIInChI=1S/C15H32N4/c1-13-10-19(11-14(2)18(13)4)15(12-16)6-5-8-17(3)9-7-15/h13-14H,5-12,16H2,1-4H3
InChIKeyGRRBVSHPHCUTQV-UHFFFAOYSA-N
MW268.45 g/mol
LogP0.82
Rot. Bonds2

About [1-methyl-4-(3,4,5-trimethylpiperazin-1-yl)azepan-4-yl]methanamine

[1-methyl-4-(3,4,5-trimethylpiperazin-1-yl)azepan-4-yl]methanamine (PubChem CID 114537563) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is [1-methyl-4-(3,4,5-trimethylpiperazin-1-yl)azepan-4-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-4-(3,4,5-trimethylpiperazin-1-yl)azepan-4-yl]methanamine
PubChem CID114537563
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC Name[1-methyl-4-(3,4,5-trimethylpiperazin-1-yl)azepan-4-yl]methanamine
SMILESCC1CN(C2(CN)CCCN(C)CC2)CC(C)N1C
InChIInChI=1S/C15H32N4/c1-13-10-19(11-14(2)18(13)4)15(12-16)6-5-8-17(3)9-7-15/h13-14H,5-12,16H2,1-4H3
InChIKeyGRRBVSHPHCUTQV-UHFFFAOYSA-N
XLogP0.82
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-methyl-4-(4-methylpiperazin-1-yl)azepan-4-yl]methanamine
CID 65075564
[1-methyl-4-(2-methylmorpholin-4-yl)azepan-4-yl]methanamine
CID 65074829
[8-(3,4,5-trimethylpiperazin-1-yl)spiro[4.5]decan-8-yl]methanamine
CID 114818266
[1-methyl-4-(4-propan-2-ylpiperidin-1-yl)azepan-4-yl]methanamine
CID 103494627
[1-propan-2-yl-3-(3,4,5-trimethylpiperazin-1-yl)pyrrolidin-3-yl]methanamine
CID 114537561
[4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-methylazepan-4-yl]methanamine
CID 65074994
[4-(1,3-dihydroisoindol-2-yl)-1-methylazepan-4-yl]methanamine
CID 65075467
[3-ethyl-1-(3,4,5-trimethylpiperazin-1-yl)cyclopentyl]methanamine
CID 114537628
[1-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]azepan-4-yl]methanamine
CID 65075298
(2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine
CID 159003358
[3-methyl-1-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]methanamine
CID 43209340
1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanamine
CID 10654304

Frequently Asked Questions

What is the IUPAC name of [1-methyl-4-(3,4,5-trimethylpiperazin-1-yl)azepan-4-yl]methanamine?
The IUPAC name of [1-methyl-4-(3,4,5-trimethylpiperazin-1-yl)azepan-4-yl]methanamine (CID 114537563) is [1-methyl-4-(3,4,5-trimethylpiperazin-1-yl)azepan-4-yl]methanamine.
What is the SMILES notation for [1-methyl-4-(3,4,5-trimethylpiperazin-1-yl)azepan-4-yl]methanamine?
The canonical SMILES for [1-methyl-4-(3,4,5-trimethylpiperazin-1-yl)azepan-4-yl]methanamine is CC1CN(C2(CN)CCCN(C)CC2)CC(C)N1C.
What is the InChIKey of [1-methyl-4-(3,4,5-trimethylpiperazin-1-yl)azepan-4-yl]methanamine?
The InChIKey is GRRBVSHPHCUTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-13-10-19(11-14(2)18(13)4)15(12-16)6-5-8-17(3)9-7-15/h13-14H,5-12,16H2,1-4H3.
What are the key properties of [1-methyl-4-(3,4,5-trimethylpiperazin-1-yl)azepan-4-yl]methanamine?
[1-methyl-4-(3,4,5-trimethylpiperazin-1-yl)azepan-4-yl]methanamine has a molecular weight of 268.45 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-4-(3,4,5-trimethylpiperazin-1-yl)azepan-4-yl]methanamine is sourced from PubChem (CID 114537563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).