N-(cyclohexylmethyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-amine

C16H33N3 — CID 115255287

IUPACN-(cyclohexylmethyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-amine
SMILESCC(C)(CNCC1CCCCC1)CN1CCNCC1
InChIInChI=1S/C16H33N3/c1-16(2,14-19-10-8-17-9-11-19)13-18-12-15-6-4-3-5-7-15/h15,17-18H,3-14H2,1-2H3
InChIKeySCYMRMDYLGPXAR-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.09
Rot. Bonds6

About N-(cyclohexylmethyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-amine

N-(cyclohexylmethyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-amine (PubChem CID 115255287) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-amine
PubChem CID115255287
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC NameN-(cyclohexylmethyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-amine
SMILESCC(C)(CNCC1CCCCC1)CN1CCNCC1
InChIInChI=1S/C16H33N3/c1-16(2,14-19-10-8-17-9-11-19)13-18-12-15-6-4-3-5-7-15/h15,17-18H,3-14H2,1-2H3
InChIKeySCYMRMDYLGPXAR-UHFFFAOYSA-N
XLogP2.09
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-(piperazin-1-ylmethyl)methanamine
CID 115230038
N-(cyclohexylmethyl)-2-methyl-3-piperazin-1-ylpropan-1-amine
CID 115255377
5-(cyclohexylmethylamino)-4,4-dimethylpentan-1-ol
CID 103897688
N-(cyclohexylmethyl)-2-piperazin-1-ylpropan-1-amine
CID 115255716
5-chloro-N-(cyclopentylmethyl)-2,2-dimethylpentan-1-amine
CID 106141095
N-(cyclohexylmethyl)-2-methoxy-2-methylpropan-1-amine
CID 115757000
N,2,2,4,4-pentamethyl-5-piperazin-1-ylpentan-1-amine
CID 142492050
1-(cyclohexylmethyl)piperazine;piperazine
CID 66986907
1-(cyclohexylmethyl)piperazine;hydrobromide
CID 71323423
1-(2,2-dimethylpentyl)piperazine
CID 83530331
1-(2-cyclobutyl-2-methylpropyl)piperazine
CID 116829836
1-(2-cyclopentylsulfanyl-2-methylpropyl)piperazine
CID 117035698

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-amine?
The IUPAC name of N-(cyclohexylmethyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-amine (CID 115255287) is N-(cyclohexylmethyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-amine?
The canonical SMILES for N-(cyclohexylmethyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-amine is CC(C)(CNCC1CCCCC1)CN1CCNCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-amine?
The InChIKey is SCYMRMDYLGPXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-16(2,14-19-10-8-17-9-11-19)13-18-12-15-6-4-3-5-7-15/h15,17-18H,3-14H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-amine?
N-(cyclohexylmethyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 115255287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).