N,2,2,4,4-pentamethyl-5-piperazin-1-ylpentan-1-amine

C14H31N3 — CID 142492050

IUPACN,2,2,4,4-pentamethyl-5-piperazin-1-ylpentan-1-amine
SMILESCNCC(C)(C)CC(C)(C)CN1CCNCC1
InChIInChI=1S/C14H31N3/c1-13(2,11-15-5)10-14(3,4)12-17-8-6-16-7-9-17/h15-16H,6-12H2,1-5H3
InChIKeyZETJWCFAYHYLCP-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.55
Rot. Bonds6

About N,2,2,4,4-pentamethyl-5-piperazin-1-ylpentan-1-amine

N,2,2,4,4-pentamethyl-5-piperazin-1-ylpentan-1-amine (PubChem CID 142492050) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is N,2,2,4,4-pentamethyl-5-piperazin-1-ylpentan-1-amine.

Molecular Properties

Compound NameN,2,2,4,4-pentamethyl-5-piperazin-1-ylpentan-1-amine
PubChem CID142492050
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC NameN,2,2,4,4-pentamethyl-5-piperazin-1-ylpentan-1-amine
SMILESCNCC(C)(C)CC(C)(C)CN1CCNCC1
InChIInChI=1S/C14H31N3/c1-13(2,11-15-5)10-14(3,4)12-17-8-6-16-7-9-17/h15-16H,6-12H2,1-5H3
InChIKeyZETJWCFAYHYLCP-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

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CID 115027592
N-(cyclohexylmethyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-amine
CID 115255287
N,N,2-trimethyl-1-piperazin-1-ylpropan-2-amine
CID 50852334
1,2-di(piperazin-1-yl)propan-2-ol
CID 57284131
1-[1-[2,2-dimethyl-3-(methylamino)propyl]piperidin-4-yl]ethanol
CID 106837804
N,2,2-trimethyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62257427
1-methyl-4-(2,2,4,4-tetramethylpentyl)piperazine
CID 163906125
1-(2-cyclobutyl-2-methylpropyl)piperazine
CID 116829836
1-ethylpiperazine;methane;N-methylmethanamine
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1-piperazin-1-ylbutane-2,2-diamine
CID 57309719

Frequently Asked Questions

What is the IUPAC name of N,2,2,4,4-pentamethyl-5-piperazin-1-ylpentan-1-amine?
The IUPAC name of N,2,2,4,4-pentamethyl-5-piperazin-1-ylpentan-1-amine (CID 142492050) is N,2,2,4,4-pentamethyl-5-piperazin-1-ylpentan-1-amine.
What is the SMILES notation for N,2,2,4,4-pentamethyl-5-piperazin-1-ylpentan-1-amine?
The canonical SMILES for N,2,2,4,4-pentamethyl-5-piperazin-1-ylpentan-1-amine is CNCC(C)(C)CC(C)(C)CN1CCNCC1.
What is the InChIKey of N,2,2,4,4-pentamethyl-5-piperazin-1-ylpentan-1-amine?
The InChIKey is ZETJWCFAYHYLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-13(2,11-15-5)10-14(3,4)12-17-8-6-16-7-9-17/h15-16H,6-12H2,1-5H3.
What are the key properties of N,2,2,4,4-pentamethyl-5-piperazin-1-ylpentan-1-amine?
N,2,2,4,4-pentamethyl-5-piperazin-1-ylpentan-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 N,2,2,4,4-pentamethyl-5-piperazin-1-ylpentan-1-amine is sourced from PubChem (CID 142492050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).