(1S,2R,4R)-2,4-dimethyl-N-[(2R)-4-(1,2,4-triazol-1-yl)butan-2-yl]cyclohexan-1-amine

C14H26N4 — CID 129378731

IUPAC(1S,2R,4R)-2,4-dimethyl-N-[(2R)-4-(1,2,4-triazol-1-yl)butan-2-yl]cyclohexan-1-amine
SMILESC[C@@H]1CC[C@H](N[C@H](C)CCn2cncn2)[C@H](C)C1
InChIInChI=1S/C14H26N4/c1-11-4-5-14(12(2)8-11)17-13(3)6-7-18-10-15-9-16-18/h9-14,17H,4-8H2,1-3H3/t11-,12-,13-,14+/m1/s1
InChIKeyFRFGHAGYLFDWMM-SYQHCUMBSA-N
MW250.39 g/mol
LogP2.47
Rot. Bonds5

About (1S,2R,4R)-2,4-dimethyl-N-[(2R)-4-(1,2,4-triazol-1-yl)butan-2-yl]cyclohexan-1-amine

(1S,2R,4R)-2,4-dimethyl-N-[(2R)-4-(1,2,4-triazol-1-yl)butan-2-yl]cyclohexan-1-amine (PubChem CID 129378731) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is (1S,2R,4R)-2,4-dimethyl-N-[(2R)-4-(1,2,4-triazol-1-yl)butan-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name(1S,2R,4R)-2,4-dimethyl-N-[(2R)-4-(1,2,4-triazol-1-yl)butan-2-yl]cyclohexan-1-amine
PubChem CID129378731
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name(1S,2R,4R)-2,4-dimethyl-N-[(2R)-4-(1,2,4-triazol-1-yl)butan-2-yl]cyclohexan-1-amine
SMILESC[C@@H]1CC[C@H](N[C@H](C)CCn2cncn2)[C@H](C)C1
InChIInChI=1S/C14H26N4/c1-11-4-5-14(12(2)8-11)17-13(3)6-7-18-10-15-9-16-18/h9-14,17H,4-8H2,1-3H3/t11-,12-,13-,14+/m1/s1
InChIKeyFRFGHAGYLFDWMM-SYQHCUMBSA-N
XLogP2.47
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S,2R,4R)-2,4-dimethyl-N-[(2R)-4-(1,2,4-triazol-1-yl)butan-2-yl]cyclohexan-1-amine with MolForge

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Related Compounds

(1R,3R,4S)-3,4-dimethyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]cyclohexan-1-amine
CID 129436961
N-[3-(1H-1,2,4-triazol-1-yl)propyl]-3-azaspiro[5.5]undecan-9-amine dihydrochloride
CID 56714155
1-(4-Propan-2-ylcyclohexyl)-1,2,4-triazole
CID 58394984
N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazol-3-amine
CID 58883290
N-(cyclohexylmethyl)-2-ethyl-1,2,4-triazol-3-amine
CID 58883367
5-N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazole-3,5-diamine
CID 58976514
3-N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazole-3,5-diamine
CID 58976963
1-(4-Ethylcyclohexyl)-1,2,4-triazole
CID 64776319
3-Ethyl-1-(1,2,4-triazol-1-yl)heptan-1-amine
CID 66894881
4-Cyclohexyl-4-(1,2,4-triazol-1-yl)piperidine
CID 69700771
cis-(1S,5R)-3-methyl-5-(1,2,4-triazol-4-yl)cyclohexan-1-amine
CID 88989712
N-(cyclohexylmethyl)-2-ethyl-1,2,4-triazol-3-amine;ethane
CID 90914593

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-2,4-dimethyl-N-[(2R)-4-(1,2,4-triazol-1-yl)butan-2-yl]cyclohexan-1-amine?
The IUPAC name of (1S,2R,4R)-2,4-dimethyl-N-[(2R)-4-(1,2,4-triazol-1-yl)butan-2-yl]cyclohexan-1-amine (CID 129378731) is (1S,2R,4R)-2,4-dimethyl-N-[(2R)-4-(1,2,4-triazol-1-yl)butan-2-yl]cyclohexan-1-amine.
What is the SMILES notation for (1S,2R,4R)-2,4-dimethyl-N-[(2R)-4-(1,2,4-triazol-1-yl)butan-2-yl]cyclohexan-1-amine?
The canonical SMILES for (1S,2R,4R)-2,4-dimethyl-N-[(2R)-4-(1,2,4-triazol-1-yl)butan-2-yl]cyclohexan-1-amine is C[C@@H]1CC[C@H](N[C@H](C)CCn2cncn2)[C@H](C)C1.
What is the InChIKey of (1S,2R,4R)-2,4-dimethyl-N-[(2R)-4-(1,2,4-triazol-1-yl)butan-2-yl]cyclohexan-1-amine?
The InChIKey is FRFGHAGYLFDWMM-SYQHCUMBSA-N. The full InChI is InChI=1S/C14H26N4/c1-11-4-5-14(12(2)8-11)17-13(3)6-7-18-10-15-9-16-18/h9-14,17H,4-8H2,1-3H3/t11-,12-,13-,14+/m1/s1.
What are the key properties of (1S,2R,4R)-2,4-dimethyl-N-[(2R)-4-(1,2,4-triazol-1-yl)butan-2-yl]cyclohexan-1-amine?
(1S,2R,4R)-2,4-dimethyl-N-[(2R)-4-(1,2,4-triazol-1-yl)butan-2-yl]cyclohexan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-2,4-dimethyl-N-[(2R)-4-(1,2,4-triazol-1-yl)butan-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 129378731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).