1-[2,5-dimethyl-4-(2-methylpentyl)piperazin-1-yl]pentan-2-amine

C17H37N3 — CID 90260297

IUPAC1-[2,5-dimethyl-4-(2-methylpentyl)piperazin-1-yl]pentan-2-amine
SMILESCCCC(C)CN1CC(C)N(CC(N)CCC)CC1C
InChIInChI=1S/C17H37N3/c1-6-8-14(3)10-19-11-16(5)20(12-15(19)4)13-17(18)9-7-2/h14-17H,6-13,18H2,1-5H3
InChIKeyNFTAIQMMGREKMR-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.94
Rot. Bonds8

About 1-[2,5-dimethyl-4-(2-methylpentyl)piperazin-1-yl]pentan-2-amine

1-[2,5-dimethyl-4-(2-methylpentyl)piperazin-1-yl]pentan-2-amine (PubChem CID 90260297) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is 1-[2,5-dimethyl-4-(2-methylpentyl)piperazin-1-yl]pentan-2-amine.

Molecular Properties

Compound Name1-[2,5-dimethyl-4-(2-methylpentyl)piperazin-1-yl]pentan-2-amine
PubChem CID90260297
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC Name1-[2,5-dimethyl-4-(2-methylpentyl)piperazin-1-yl]pentan-2-amine
SMILESCCCC(C)CN1CC(C)N(CC(N)CCC)CC1C
InChIInChI=1S/C17H37N3/c1-6-8-14(3)10-19-11-16(5)20(12-15(19)4)13-17(18)9-7-2/h14-17H,6-13,18H2,1-5H3
InChIKeyNFTAIQMMGREKMR-UHFFFAOYSA-N
XLogP2.94
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylpyrrolidin-1-yl)pentan-2-amine
CID 79189172
2-methyl-3-(2-methylaziridin-1-yl)propan-1-amine
CID 59479573
3-tert-butyl-7-methyl-1-(2-methylpentyl)-1,4-diazepane
CID 64870421
1-(3,5-dimethylpiperazin-1-yl)pentan-2-amine
CID 67575951
7-methyl-1-(2-methylpentyl)-1,4-diazepane
CID 64871379
(2R)-1-[(2S,5R)-4-[(2S)-2-hydroxypropyl]-2,5-dimethylpiperazin-1-yl]propan-2-ol
CID 124524922
5-cyclohexyl-2-methyl-1-(2-methylpentyl)piperazine
CID 64860363
2-methyl-1-(2-methylpentyl)-5-phenylpiperazine
CID 64875917
3-cyclohexyl-7-methyl-1-(2-methylpentyl)-1,4-diazepane
CID 64871015
1-(3,4,5-trimethylpiperazin-1-yl)hexan-2-amine
CID 114547111
8-methyl-9-(2-methylpentyl)-6,9-diazaspiro[4.5]decane
CID 64875816
1-(2,5-dimethylpiperazin-1-yl)butan-2-amine
CID 67575946

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-dimethyl-4-(2-methylpentyl)piperazin-1-yl]pentan-2-amine?
The IUPAC name of 1-[2,5-dimethyl-4-(2-methylpentyl)piperazin-1-yl]pentan-2-amine (CID 90260297) is 1-[2,5-dimethyl-4-(2-methylpentyl)piperazin-1-yl]pentan-2-amine.
What is the SMILES notation for 1-[2,5-dimethyl-4-(2-methylpentyl)piperazin-1-yl]pentan-2-amine?
The canonical SMILES for 1-[2,5-dimethyl-4-(2-methylpentyl)piperazin-1-yl]pentan-2-amine is CCCC(C)CN1CC(C)N(CC(N)CCC)CC1C.
What is the InChIKey of 1-[2,5-dimethyl-4-(2-methylpentyl)piperazin-1-yl]pentan-2-amine?
The InChIKey is NFTAIQMMGREKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-6-8-14(3)10-19-11-16(5)20(12-15(19)4)13-17(18)9-7-2/h14-17H,6-13,18H2,1-5H3.
What are the key properties of 1-[2,5-dimethyl-4-(2-methylpentyl)piperazin-1-yl]pentan-2-amine?
1-[2,5-dimethyl-4-(2-methylpentyl)piperazin-1-yl]pentan-2-amine has a molecular weight of 283.50 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-dimethyl-4-(2-methylpentyl)piperazin-1-yl]pentan-2-amine is sourced from PubChem (CID 90260297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).