4,4-dimethyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]pentan-1-amine

C15H33N3 — CID 107473681

IUPAC4,4-dimethyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]pentan-1-amine
SMILESCC1CN(CC(CN)CC(C)(C)C)CC(C)N1C
InChIInChI=1S/C15H33N3/c1-12-9-18(10-13(2)17(12)6)11-14(8-16)7-15(3,4)5/h12-14H,7-11,16H2,1-6H3
InChIKeySIXQUBZATWKYJA-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.02
Rot. Bonds4

About 4,4-dimethyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]pentan-1-amine

4,4-dimethyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]pentan-1-amine (PubChem CID 107473681) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 4,4-dimethyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]pentan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]pentan-1-amine
PubChem CID107473681
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name4,4-dimethyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]pentan-1-amine
SMILESCC1CN(CC(CN)CC(C)(C)C)CC(C)N1C
InChIInChI=1S/C15H33N3/c1-12-9-18(10-13(2)17(12)6)11-14(8-16)7-15(3,4)5/h12-14H,7-11,16H2,1-6H3
InChIKeySIXQUBZATWKYJA-UHFFFAOYSA-N
XLogP2.02
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-4,4-dimethylpentan-1-amine
CID 107473555
(2S,6S)-1,2,6-trimethyl-4-(2-methylpropyl)piperazine
CID 171515774
2-[(3,4,5-trimethylpiperazin-1-yl)methyl]butane-1-thiol
CID 114541064
2-[(3,4-dimethylpiperazin-1-yl)methyl]butan-1-amine
CID 65233149
2-(3,4-dimethylpyrrolidin-1-yl)-4,4-dimethylpentan-1-amine
CID 79188396
methyl 2-amino-3-(3,4,5-trimethylpiperazin-1-yl)propanoate
CID 114539347
2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine
CID 114547158
(2S,6R)-4-ethyl-1,2,6-trimethylpiperazine
CID 138484607
N,2,2-trimethyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
CID 114539596
1-(3,4,5-trimethylpiperazin-1-yl)hexan-2-amine
CID 114547111
2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propane-1-thiol
CID 114541048
1-fluoro-3-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]propan-2-ol
CID 130993658

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]pentan-1-amine?
The IUPAC name of 4,4-dimethyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]pentan-1-amine (CID 107473681) is 4,4-dimethyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]pentan-1-amine.
What is the SMILES notation for 4,4-dimethyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]pentan-1-amine?
The canonical SMILES for 4,4-dimethyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]pentan-1-amine is CC1CN(CC(CN)CC(C)(C)C)CC(C)N1C.
What is the InChIKey of 4,4-dimethyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]pentan-1-amine?
The InChIKey is SIXQUBZATWKYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-12-9-18(10-13(2)17(12)6)11-14(8-16)7-15(3,4)5/h12-14H,7-11,16H2,1-6H3.
What are the key properties of 4,4-dimethyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]pentan-1-amine?
4,4-dimethyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]pentan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]pentan-1-amine is sourced from PubChem (CID 107473681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).