3,3,5,5-tetramethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine

C16H29N3 — CID 112568566

IUPAC3,3,5,5-tetramethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine
SMILESCC(NC1CC(C)(C)CC(C)(C)C1)c1cnn(C)c1
InChIInChI=1S/C16H29N3/c1-12(13-9-17-19(6)10-13)18-14-7-15(2,3)11-16(4,5)8-14/h9-10,12,14,18H,7-8,11H2,1-6H3
InChIKeyGDPTUTDRAUNHGW-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.68
Rot. Bonds3

About 3,3,5,5-tetramethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine

3,3,5,5-tetramethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine (PubChem CID 112568566) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine
PubChem CID112568566
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name3,3,5,5-tetramethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine
SMILESCC(NC1CC(C)(C)CC(C)(C)C1)c1cnn(C)c1
InChIInChI=1S/C16H29N3/c1-12(13-9-17-19(6)10-13)18-14-7-15(2,3)11-16(4,5)8-14/h9-10,12,14,18H,7-8,11H2,1-6H3
InChIKeyGDPTUTDRAUNHGW-UHFFFAOYSA-N
XLogP3.68
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,5,5-tetramethyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 103961012
N-[1-(4-fluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998614
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961016
N-[1-(1-methylpyrazol-4-yl)ethyl]-1,1-dioxothian-3-amine
CID 63924686
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401
3,3,5,5-tetramethyl-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine
CID 95121077
N-[1-(1-methylpyrazol-4-yl)ethyl]formamide
CID 130520642
3,3,5,5-tetramethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine
CID 103965737
[(2,2-dimethylcyclopropyl)-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 107005575
N-[1-(2,6-difluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998836
(3S)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 97232134
N-[(4-methyloxan-4-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 103903333

Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 3,3,5,5-tetramethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine (CID 112568566) is 3,3,5,5-tetramethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 3,3,5,5-tetramethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 3,3,5,5-tetramethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine is CC(NC1CC(C)(C)CC(C)(C)C1)c1cnn(C)c1.
What is the InChIKey of 3,3,5,5-tetramethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine?
The InChIKey is GDPTUTDRAUNHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-12(13-9-17-19(6)10-13)18-14-7-15(2,3)11-16(4,5)8-14/h9-10,12,14,18H,7-8,11H2,1-6H3.
What are the key properties of 3,3,5,5-tetramethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine?
3,3,5,5-tetramethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 112568566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).