N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine

C17H30N4O — CID 126771558

IUPACN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
SMILESCc1nnc(CN(CC2CCCO2)C2CCC(C)CC2)n1C
InChIInChI=1S/C17H30N4O/c1-13-6-8-15(9-7-13)21(11-16-5-4-10-22-16)12-17-19-18-14(2)20(17)3/h13,15-16H,4-12H2,1-3H3
InChIKeyGQXSJDORFWXSHM-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.68
Rot. Bonds5

About N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine

N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine (PubChem CID 126771558) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
PubChem CID126771558
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC NameN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
SMILESCc1nnc(CN(CC2CCCO2)C2CCC(C)CC2)n1C
InChIInChI=1S/C17H30N4O/c1-13-6-8-15(9-7-13)21(11-16-5-4-10-22-16)12-17-19-18-14(2)20(17)3/h13,15-16H,4-12H2,1-3H3
InChIKeyGQXSJDORFWXSHM-UHFFFAOYSA-N
XLogP2.68
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine with MolForge

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Related Compounds

4-methyl-N-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 126774140
N-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 126785570
2-[2-[(4-methylcyclohexyl)-(oxolan-2-ylmethyl)amino]ethoxy]ethanol
CID 111488883
N'-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)piperidine-1-carboximidamide;hydroiodide
CID 111541157
N-(oxolan-2-ylmethyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentanamine
CID 127377767
N,N-dimethyl-5-[[(4-methylcyclohexyl)-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-1H-pyrrole-2-carboxamide
CID 97160111
N,N-dimethyl-5-[[(4-methylcyclohexyl)-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1H-pyrrole-2-carboxamide
CID 97160110
1-cyclohexyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine
CID 86992658
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-ethylazetidin-3-amine
CID 66183471
1-benzyl-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111492671
N-(1,2-oxazol-5-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]cyclopentanamine
CID 95901998
1-tert-butyl-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111493817

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine (CID 126771558) is N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine is Cc1nnc(CN(CC2CCCO2)C2CCC(C)CC2)n1C.
What is the InChIKey of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is GQXSJDORFWXSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-13-6-8-15(9-7-13)21(11-16-5-4-10-22-16)12-17-19-18-14(2)20(17)3/h13,15-16H,4-12H2,1-3H3.
What are the key properties of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 306.45 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 126771558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).