[2-(4-methylcyclohexyl)oxy-4-propylcyclohexyl]methanamine

C17H33NO — CID 43428836

IUPAC[2-(4-methylcyclohexyl)oxy-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(OC2CCC(C)CC2)C1
InChIInChI=1S/C17H33NO/c1-3-4-14-7-8-15(12-18)17(11-14)19-16-9-5-13(2)6-10-16/h13-17H,3-12,18H2,1-2H3
InChIKeyRBVSWNJZAUSUNB-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.13
Rot. Bonds5

About [2-(4-methylcyclohexyl)oxy-4-propylcyclohexyl]methanamine

[2-(4-methylcyclohexyl)oxy-4-propylcyclohexyl]methanamine (PubChem CID 43428836) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is [2-(4-methylcyclohexyl)oxy-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(4-methylcyclohexyl)oxy-4-propylcyclohexyl]methanamine
PubChem CID43428836
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name[2-(4-methylcyclohexyl)oxy-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(OC2CCC(C)CC2)C1
InChIInChI=1S/C17H33NO/c1-3-4-14-7-8-15(12-18)17(11-14)19-16-9-5-13(2)6-10-16/h13-17H,3-12,18H2,1-2H3
InChIKeyRBVSWNJZAUSUNB-UHFFFAOYSA-N
XLogP4.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-Propyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 43428737
[4-Ethyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 43428738
3-(5-Methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine
CID 19762374
3-(3-Amino-1-cyclohexylpropoxy)-3-cyclohexylpropan-1-amine
CID 56621414
3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-1-amine
CID 57125286
1-[4-(4-Methoxycyclohexyl)cyclohexyl]propan-1-amine
CID 126539680
2-Methyl-6-(4-methylcyclohexyl)-3-propoxycyclohexan-1-amine
CID 137428472
3-Ethoxy-2-methyl-6-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine
CID 137428484
5-Butoxy-2-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine
CID 137428509
5-Butoxy-2-(4-methylcyclohexyl)cyclohexan-1-amine
CID 137428599
1-[4-[[4-(1-Aminoethoxy)cyclohexyl]methyl]cyclohexyl]propan-2-amine
CID 138745721
4-[(5-Methyl-2-propan-2-ylcyclohexyl)oxymethyl]cyclohexan-1-amine
CID 140575695

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylcyclohexyl)oxy-4-propylcyclohexyl]methanamine?
The IUPAC name of [2-(4-methylcyclohexyl)oxy-4-propylcyclohexyl]methanamine (CID 43428836) is [2-(4-methylcyclohexyl)oxy-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [2-(4-methylcyclohexyl)oxy-4-propylcyclohexyl]methanamine?
The canonical SMILES for [2-(4-methylcyclohexyl)oxy-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)C(OC2CCC(C)CC2)C1.
What is the InChIKey of [2-(4-methylcyclohexyl)oxy-4-propylcyclohexyl]methanamine?
The InChIKey is RBVSWNJZAUSUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-3-4-14-7-8-15(12-18)17(11-14)19-16-9-5-13(2)6-10-16/h13-17H,3-12,18H2,1-2H3.
What are the key properties of [2-(4-methylcyclohexyl)oxy-4-propylcyclohexyl]methanamine?
[2-(4-methylcyclohexyl)oxy-4-propylcyclohexyl]methanamine has a molecular weight of 267.46 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylcyclohexyl)oxy-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 43428836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).