N-[(1,4-dimethylpiperazin-2-yl)methyl]-5,5-dimethylhexan-2-amine

C15H33N3 — CID 114279927

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-5,5-dimethylhexan-2-amine
SMILESCC(CCC(C)(C)C)NCC1CN(C)CCN1C
InChIInChI=1S/C15H33N3/c1-13(7-8-15(2,3)4)16-11-14-12-17(5)9-10-18(14)6/h13-14,16H,7-12H2,1-6H3
InChIKeyOOEFLXGKLHXAKH-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.04
Rot. Bonds5

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-5,5-dimethylhexan-2-amine

N-[(1,4-dimethylpiperazin-2-yl)methyl]-5,5-dimethylhexan-2-amine (PubChem CID 114279927) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-5,5-dimethylhexan-2-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-5,5-dimethylhexan-2-amine
PubChem CID114279927
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-5,5-dimethylhexan-2-amine
SMILESCC(CCC(C)(C)C)NCC1CN(C)CCN1C
InChIInChI=1S/C15H33N3/c1-13(7-8-15(2,3)4)16-11-14-12-17(5)9-10-18(14)6/h13-14,16H,7-12H2,1-6H3
InChIKeyOOEFLXGKLHXAKH-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-hydroxy-2,3-dimethylbutanamide
CID 154789742
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1-methylcyclopropyl)ethanamine
CID 63898738
1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine
CID 45099459
2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-propylpropanamide
CID 63897621
2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide
CID 63897620
3-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]butanoic acid
CID 63896213
2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylpentanamide
CID 63896376
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 63896511
4-[(1,4-dimethylpiperazin-2-yl)methylamino]-2,2-dimethylbutanenitrile
CID 65253055
2-[[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]methyl]-3-methylbutanoic acid
CID 65226816
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(ethylamino)-2-methylpropanamide
CID 63898421
2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
CID 79811012

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-5,5-dimethylhexan-2-amine?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-5,5-dimethylhexan-2-amine (CID 114279927) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-5,5-dimethylhexan-2-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-5,5-dimethylhexan-2-amine?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-5,5-dimethylhexan-2-amine is CC(CCC(C)(C)C)NCC1CN(C)CCN1C.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-5,5-dimethylhexan-2-amine?
The InChIKey is OOEFLXGKLHXAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-13(7-8-15(2,3)4)16-11-14-12-17(5)9-10-18(14)6/h13-14,16H,7-12H2,1-6H3.
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-5,5-dimethylhexan-2-amine?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-5,5-dimethylhexan-2-amine has a molecular weight of 255.45 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-5,5-dimethylhexan-2-amine is sourced from PubChem (CID 114279927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).