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

C18H32N4O — CID 126785570

IUPACN-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
SMILESCCc1nnc(CN(CC2CCCO2)C2CCC(C)CC2)n1C
InChIInChI=1S/C18H32N4O/c1-4-17-19-20-18(21(17)3)13-22(12-16-6-5-11-23-16)15-9-7-14(2)8-10-15/h14-16H,4-13H2,1-3H3
InChIKeyVQHXWMGWOWKXKP-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.94
Rot. Bonds6

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

N-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine (PubChem CID 126785570) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is N-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
PubChem CID126785570
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC NameN-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
SMILESCCc1nnc(CN(CC2CCCO2)C2CCC(C)CC2)n1C
InChIInChI=1S/C18H32N4O/c1-4-17-19-20-18(21(17)3)13-22(12-16-6-5-11-23-16)15-9-7-14(2)8-10-15/h14-16H,4-13H2,1-3H3
InChIKeyVQHXWMGWOWKXKP-UHFFFAOYSA-N
XLogP2.94
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 126771558
4-methyl-N-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 126774140
2-[2-[(4-methylcyclohexyl)-(oxolan-2-ylmethyl)amino]ethoxy]ethanol
CID 111488883
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
N-(oxolan-2-ylmethyl)-N-propylpiperidin-4-amine
CID 60806655
N-(1,2-oxazol-5-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]cyclopentanamine
CID 95901998
N-(oxolan-2-ylmethyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentanamine
CID 127377767
4-N-ethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine
CID 79115797
3,5-diethyl-4-methyl-1,2,4-triazole
CID 59273822
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 86826034
5-N,3-diethyl-1-methyl-5-N-(oxolan-2-ylmethyl)pyrazole-4,5-diamine
CID 66016004

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of N-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine (CID 126785570) is N-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine is CCc1nnc(CN(CC2CCCO2)C2CCC(C)CC2)n1C.
What is the InChIKey of N-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is VQHXWMGWOWKXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c1-4-17-19-20-18(21(17)3)13-22(12-16-6-5-11-23-16)15-9-7-14(2)8-10-15/h14-16H,4-13H2,1-3H3.
What are the key properties of N-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
N-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 320.48 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 126785570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).