N,N-dimethyl-3-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]propan-1-amine

C16H35N3 — CID 64933854

IUPACN,N-dimethyl-3-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]propan-1-amine
SMILESCC(C)CC1CN(CCCN(C)C)C(C(C)C)CN1
InChIInChI=1S/C16H35N3/c1-13(2)10-15-12-19(9-7-8-18(5)6)16(11-17-15)14(3)4/h13-17H,7-12H2,1-6H3
InChIKeyCRWHOEWIYJIPNQ-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.28
Rot. Bonds7

About N,N-dimethyl-3-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]propan-1-amine

N,N-dimethyl-3-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]propan-1-amine (PubChem CID 64933854) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is N,N-dimethyl-3-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]propan-1-amine
PubChem CID64933854
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC NameN,N-dimethyl-3-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]propan-1-amine
SMILESCC(C)CC1CN(CCCN(C)C)C(C(C)C)CN1
InChIInChI=1S/C16H35N3/c1-13(2)10-15-12-19(9-7-8-18(5)6)16(11-17-15)14(3)4/h13-17H,7-12H2,1-6H3
InChIKeyCRWHOEWIYJIPNQ-UHFFFAOYSA-N
XLogP2.28
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)-N,N-dimethylbutan-1-amine
CID 64946962
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 115943612
5-(2-methylpropyl)-2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine
CID 64848157
2-butan-2-yl-1-heptyl-5-(2-methylpropyl)piperazine
CID 64850090
1-(cyclobutylmethyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64934807
2-butan-2-yl-5-(2-methylpropyl)-1-propylpiperazine
CID 64847775
5-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpiperazine
CID 103016459
2-methyl-1-(4-methylpentyl)-5-(2-methylpropyl)piperazine
CID 64939631
1-octyl-2-propan-2-yl-5-propylpiperazine
CID 64840134
5-(2-methylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpiperazine
CID 64849123
4-methyl-2-[2-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]ethyl]-1,3-thiazole
CID 64939835
[1-[3-(dimethylamino)propyl]-5-(hydroxymethyl)piperazin-2-yl]methanol
CID 82242875

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]propan-1-amine (CID 64933854) is N,N-dimethyl-3-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]propan-1-amine is CC(C)CC1CN(CCCN(C)C)C(C(C)C)CN1.
What is the InChIKey of N,N-dimethyl-3-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]propan-1-amine?
The InChIKey is CRWHOEWIYJIPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-13(2)10-15-12-19(9-7-8-18(5)6)16(11-17-15)14(3)4/h13-17H,7-12H2,1-6H3.
What are the key properties of N,N-dimethyl-3-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]propan-1-amine?
N,N-dimethyl-3-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]propan-1-amine has a molecular weight of 269.48 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]propan-1-amine is sourced from PubChem (CID 64933854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).