2,2,4-trimethyl-N-[(1-methylpiperazin-2-yl)methyl]pentan-1-amine

C14H31N3 — CID 115238515

IUPAC2,2,4-trimethyl-N-[(1-methylpiperazin-2-yl)methyl]pentan-1-amine
SMILESCC(C)CC(C)(C)CNCC1CNCCN1C
InChIInChI=1S/C14H31N3/c1-12(2)8-14(3,4)11-16-10-13-9-15-6-7-17(13)5/h12-13,15-16H,6-11H2,1-5H3
InChIKeyBLXGQKJMTGRUEN-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.55
Rot. Bonds6

About 2,2,4-trimethyl-N-[(1-methylpiperazin-2-yl)methyl]pentan-1-amine

2,2,4-trimethyl-N-[(1-methylpiperazin-2-yl)methyl]pentan-1-amine (PubChem CID 115238515) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 2,2,4-trimethyl-N-[(1-methylpiperazin-2-yl)methyl]pentan-1-amine.

Molecular Properties

Compound Name2,2,4-trimethyl-N-[(1-methylpiperazin-2-yl)methyl]pentan-1-amine
PubChem CID115238515
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name2,2,4-trimethyl-N-[(1-methylpiperazin-2-yl)methyl]pentan-1-amine
SMILESCC(C)CC(C)(C)CNCC1CNCCN1C
InChIInChI=1S/C14H31N3/c1-12(2)8-14(3,4)11-16-10-13-9-15-6-7-17(13)5/h12-13,15-16H,6-11H2,1-5H3
InChIKeyBLXGQKJMTGRUEN-UHFFFAOYSA-N
XLogP1.55
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-2-(1H-pyrrol-3-yl)propan-1-amine
CID 115238521
1-cyclopentyl-N-[(1-methylpiperazin-2-yl)methyl]methanamine
CID 115238393
N-[(1-methylpiperazin-2-yl)methyl]-1-(oxan-4-yl)methanamine
CID 115238395
1-(1-methylpiperazin-2-yl)propan-2-amine
CID 116941733
3-methyl-1-(1-methylpiperazin-2-yl)butan-2-one
CID 116920060
[(2R)-1-methylpiperazin-2-yl]methanol
CID 51669493
3-methyl-1-(1-methylpiperazin-2-yl)butan-2-amine
CID 116941732
2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-5-propan-2-ylaniline
CID 115238269
[(2R)-1-methylpiperazin-2-yl]methanol;dihydrochloride
CID 68807416
(1-methylpiperazin-2-yl)methanol;dihydrochloride
CID 57481582
ethane;(1-methylpiperazin-2-yl)methanethiol
CID 171068891
N,2-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]propan-1-amine
CID 115239559

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-N-[(1-methylpiperazin-2-yl)methyl]pentan-1-amine?
The IUPAC name of 2,2,4-trimethyl-N-[(1-methylpiperazin-2-yl)methyl]pentan-1-amine (CID 115238515) is 2,2,4-trimethyl-N-[(1-methylpiperazin-2-yl)methyl]pentan-1-amine.
What is the SMILES notation for 2,2,4-trimethyl-N-[(1-methylpiperazin-2-yl)methyl]pentan-1-amine?
The canonical SMILES for 2,2,4-trimethyl-N-[(1-methylpiperazin-2-yl)methyl]pentan-1-amine is CC(C)CC(C)(C)CNCC1CNCCN1C.
What is the InChIKey of 2,2,4-trimethyl-N-[(1-methylpiperazin-2-yl)methyl]pentan-1-amine?
The InChIKey is BLXGQKJMTGRUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-12(2)8-14(3,4)11-16-10-13-9-15-6-7-17(13)5/h12-13,15-16H,6-11H2,1-5H3.
What are the key properties of 2,2,4-trimethyl-N-[(1-methylpiperazin-2-yl)methyl]pentan-1-amine?
2,2,4-trimethyl-N-[(1-methylpiperazin-2-yl)methyl]pentan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-N-[(1-methylpiperazin-2-yl)methyl]pentan-1-amine is sourced from PubChem (CID 115238515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).