4-N-tert-butyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,4-diamine

C16H33N3 — CID 58707413

IUPAC4-N-tert-butyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,4-diamine
SMILESCN1CCC(NC2CCC(NC(C)(C)C)CC2)CC1
InChIInChI=1S/C16H33N3/c1-16(2,3)18-15-7-5-13(6-8-15)17-14-9-11-19(4)12-10-14/h13-15,17-18H,5-12H2,1-4H3
InChIKeyUZJHWHJNAJVAJJ-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.37
Rot. Bonds3

About 4-N-tert-butyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,4-diamine

4-N-tert-butyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,4-diamine (PubChem CID 58707413) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 4-N-tert-butyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,4-diamine
PubChem CID58707413
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name4-N-tert-butyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,4-diamine
SMILESCN1CCC(NC2CCC(NC(C)(C)C)CC2)CC1
InChIInChI=1S/C16H33N3/c1-16(2,3)18-15-7-5-13(6-8-15)17-14-9-11-19(4)12-10-14/h13-15,17-18H,5-12H2,1-4H3
InChIKeyUZJHWHJNAJVAJJ-UHFFFAOYSA-N
XLogP2.37
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(cyclohexylmethyl)piperidin-4-yl]-N',N'-diethylpropane-1,3-diamine
CID 44389022
cyclohexane, [N-cyclohexyl-N-[2-(N-methyl)piperidinium]ethyl]amino-
CID 171384206
4-N,4-N-bis[3-(ethylamino)propyl]cyclohexane-1,4-diamine
CID 69720797
(4S)-N-[4-(4-methylpiperidin-1-yl)cyclohexyl]azepan-4-amine
CID 171359336
cis-(1S,3R)-N-tert-butyl-3-(4-fluoro-4-methylpiperidin-1-yl)cyclohexan-1-amine
CID 66603035
trans-(1S,3S)-N-tert-butyl-3-(4-fluoro-4-methylpiperidin-1-yl)cyclohexan-1-amine
CID 66603041
trans-(1R,3R)-N-tert-butyl-3-(4-fluoro-4-methylpiperidin-1-yl)cyclohexan-1-amine
CID 66603170
cis-(1R,3S)-N-tert-butyl-3-(4-fluoro-4-methylpiperidin-1-yl)cyclohexan-1-amine
CID 66603187
N'-cyclohexyl-N'-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propane-1,3-diamine
CID 120296076
N-heptan-4-yl-1-(2-methylpropyl)piperidin-4-amine
CID 71862783
N-(3-piperidin-1-ylpropyl)cyclohexanamine
CID 13610544
N-[2-(3,3,5,5-tetramethylpiperazin-1-yl)ethyl]cyclohexanamine
CID 15165096

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-tert-butyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,4-diamine (CID 58707413) is 4-N-tert-butyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-tert-butyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-tert-butyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,4-diamine is CN1CCC(NC2CCC(NC(C)(C)C)CC2)CC1.
What is the InChIKey of 4-N-tert-butyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,4-diamine?
The InChIKey is UZJHWHJNAJVAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-16(2,3)18-15-7-5-13(6-8-15)17-14-9-11-19(4)12-10-14/h13-15,17-18H,5-12H2,1-4H3.
What are the key properties of 4-N-tert-butyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,4-diamine?
4-N-tert-butyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,4-diamine has a molecular weight of 267.46 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 58707413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).