3,3,5,5-tetramethyl-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine

C17H32N4 — CID 95121077

IUPAC3,3,5,5-tetramethyl-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine
SMILESCC(C)n1cnnc1[C@H](C)NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C17H32N4/c1-12(2)21-11-18-20-15(21)13(3)19-14-8-16(4,5)10-17(6,7)9-14/h11-14,19H,8-10H2,1-7H3/t13-/m0/s1
InChIKeyFDYRSMCZNDBFLJ-ZDUSSCGKSA-N
MW292.47 g/mol
LogP4.11
Rot. Bonds4

About 3,3,5,5-tetramethyl-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine

3,3,5,5-tetramethyl-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine (PubChem CID 95121077) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine
PubChem CID95121077
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name3,3,5,5-tetramethyl-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine
SMILESCC(C)n1cnnc1[C@H](C)NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C17H32N4/c1-12(2)21-11-18-20-15(21)13(3)19-14-8-16(4,5)10-17(6,7)9-14/h11-14,19H,8-10H2,1-7H3/t13-/m0/s1
InChIKeyFDYRSMCZNDBFLJ-ZDUSSCGKSA-N
XLogP4.11
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3,5,5-tetramethyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 103961012
N-[(1R)-1-(4-fluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961009
N-[1-(4-fluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998614
3,3,5,5-tetramethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 112568566
[4-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethylamino]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 131905619
3,3,5,5-tetramethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine
CID 103965737
1-propan-2-yl-N-(3,3,5,5-tetramethylcyclohexyl)imidazol-2-amine
CID 106579835
2,4,4-trimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclopentan-1-amine
CID 106661974
N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-sulfonamide
CID 131890540
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptanamine
CID 43703015
N-[1-(2,6-difluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998836
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thietan-3-amine
CID 130683482

Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 3,3,5,5-tetramethyl-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine (CID 95121077) is 3,3,5,5-tetramethyl-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 3,3,5,5-tetramethyl-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 3,3,5,5-tetramethyl-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine is CC(C)n1cnnc1[C@H](C)NC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 3,3,5,5-tetramethyl-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine?
The InChIKey is FDYRSMCZNDBFLJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H32N4/c1-12(2)21-11-18-20-15(21)13(3)19-14-8-16(4,5)10-17(6,7)9-14/h11-14,19H,8-10H2,1-7H3/t13-/m0/s1.
What are the key properties of 3,3,5,5-tetramethyl-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine?
3,3,5,5-tetramethyl-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine has a molecular weight of 292.47 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 95121077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).