N-[2-(1,4-dimethylpiperazin-2-yl)ethyl]-N,2,5-trimethylhexan-1-amine

C17H37N3 — CID 142067796

IUPACN-[2-(1,4-dimethylpiperazin-2-yl)ethyl]-N,2,5-trimethylhexan-1-amine
SMILESCC(C)CCC(C)CN(C)CCC1CN(C)CCN1C
InChIInChI=1S/C17H37N3/c1-15(2)7-8-16(3)13-18(4)10-9-17-14-19(5)11-12-20(17)6/h15-17H,7-14H2,1-6H3
InChIKeyJWYRLADTUOCOFR-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.63
Rot. Bonds8

About N-[2-(1,4-dimethylpiperazin-2-yl)ethyl]-N,2,5-trimethylhexan-1-amine

N-[2-(1,4-dimethylpiperazin-2-yl)ethyl]-N,2,5-trimethylhexan-1-amine (PubChem CID 142067796) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is N-[2-(1,4-dimethylpiperazin-2-yl)ethyl]-N,2,5-trimethylhexan-1-amine.

Molecular Properties

Compound NameN-[2-(1,4-dimethylpiperazin-2-yl)ethyl]-N,2,5-trimethylhexan-1-amine
PubChem CID142067796
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC NameN-[2-(1,4-dimethylpiperazin-2-yl)ethyl]-N,2,5-trimethylhexan-1-amine
SMILESCC(C)CCC(C)CN(C)CCC1CN(C)CCN1C
InChIInChI=1S/C17H37N3/c1-15(2)7-8-16(3)13-18(4)10-9-17-14-19(5)11-12-20(17)6/h15-17H,7-14H2,1-6H3
InChIKeyJWYRLADTUOCOFR-UHFFFAOYSA-N
XLogP2.63
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N',2-dimethyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 115198906
N,2-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]propan-1-amine
CID 115239559
N,3-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]butan-1-amine
CID 115239639
2-(2-chloroethyl)-1,4-dimethylpiperazine
CID 178030673
1-(1,4-dimethylpiperazin-2-yl)-4-methylpentan-1-amine
CID 79658576
1-(1,4-dimethylpiperazin-2-yl)propan-2-amine
CID 115415048
1-(1,4-dimethylpiperazin-2-yl)-N,4-dimethylpentan-2-amine
CID 115415231
2-methyl-3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propanoic acid
CID 115219639
1-(1,4-dimethylpiperazin-2-yl)-N,3-dimethylpentan-2-amine
CID 115415365
2-benzyl-1,4,7-trimethyl-1,4,7-triazonane
CID 19975076
1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine
CID 45099459
N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentane-1,5-diamine
CID 104682305

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,4-dimethylpiperazin-2-yl)ethyl]-N,2,5-trimethylhexan-1-amine?
The IUPAC name of N-[2-(1,4-dimethylpiperazin-2-yl)ethyl]-N,2,5-trimethylhexan-1-amine (CID 142067796) is N-[2-(1,4-dimethylpiperazin-2-yl)ethyl]-N,2,5-trimethylhexan-1-amine.
What is the SMILES notation for N-[2-(1,4-dimethylpiperazin-2-yl)ethyl]-N,2,5-trimethylhexan-1-amine?
The canonical SMILES for N-[2-(1,4-dimethylpiperazin-2-yl)ethyl]-N,2,5-trimethylhexan-1-amine is CC(C)CCC(C)CN(C)CCC1CN(C)CCN1C.
What is the InChIKey of N-[2-(1,4-dimethylpiperazin-2-yl)ethyl]-N,2,5-trimethylhexan-1-amine?
The InChIKey is JWYRLADTUOCOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-15(2)7-8-16(3)13-18(4)10-9-17-14-19(5)11-12-20(17)6/h15-17H,7-14H2,1-6H3.
What are the key properties of N-[2-(1,4-dimethylpiperazin-2-yl)ethyl]-N,2,5-trimethylhexan-1-amine?
N-[2-(1,4-dimethylpiperazin-2-yl)ethyl]-N,2,5-trimethylhexan-1-amine has a molecular weight of 283.50 g/mol, XLogP of 2.63, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,4-dimethylpiperazin-2-yl)ethyl]-N,2,5-trimethylhexan-1-amine is sourced from PubChem (CID 142067796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).