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

C19H34N4O — CID 126774140

IUPAC4-methyl-N-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
SMILESCCCn1c(C)nnc1CN(CC1CCCO1)C1CCC(C)CC1
InChIInChI=1S/C19H34N4O/c1-4-11-23-16(3)20-21-19(23)14-22(13-18-6-5-12-24-18)17-9-7-15(2)8-10-17/h15,17-18H,4-14H2,1-3H3
InChIKeyYZFIUYBXPKLZDR-UHFFFAOYSA-N
MW334.51 g/mol
LogP3.56
Rot. Bonds7

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

4-methyl-N-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-N-(oxolan-2-ylmethyl)cyclohexan-1-amine (PubChem CID 126774140) has the molecular formula C19H34N4O and a molecular weight of 334.51 g/mol. Its IUPAC name is 4-methyl-N-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-N-(oxolan-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
PubChem CID126774140
Molecular FormulaC19H34N4O
Molecular Weight334.51 g/mol
Exact Mass334.27
IUPAC Name4-methyl-N-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
SMILESCCCn1c(C)nnc1CN(CC1CCCO1)C1CCC(C)CC1
InChIInChI=1S/C19H34N4O/c1-4-11-23-16(3)20-21-19(23)14-22(13-18-6-5-12-24-18)17-9-7-15(2)8-10-17/h15,17-18H,4-14H2,1-3H3
InChIKeyYZFIUYBXPKLZDR-UHFFFAOYSA-N
XLogP3.56
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 4-methyl-N-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-N-(oxolan-2-ylmethyl)cyclohexan-1-amine (CID 126774140) is 4-methyl-N-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-N-(oxolan-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-N-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4-methyl-N-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-N-(oxolan-2-ylmethyl)cyclohexan-1-amine is CCCn1c(C)nnc1CN(CC1CCCO1)C1CCC(C)CC1.
What is the InChIKey of 4-methyl-N-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is YZFIUYBXPKLZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O/c1-4-11-23-16(3)20-21-19(23)14-22(13-18-6-5-12-24-18)17-9-7-15(2)8-10-17/h15,17-18H,4-14H2,1-3H3.
What are the key properties of 4-methyl-N-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
4-methyl-N-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-N-(oxolan-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 334.51 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-N-(oxolan-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 126774140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).