4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]cyclohexan-1-amine

C17H33NO — CID 140575695

IUPAC4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]cyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(OCC2CCC(N)CC2)C1
InChIInChI=1S/C17H33NO/c1-12(2)16-9-4-13(3)10-17(16)19-11-14-5-7-15(18)8-6-14/h12-17H,4-11,18H2,1-3H3
InChIKeyMAVJCFARUOJORT-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.98
Rot. Bonds4

About 4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]cyclohexan-1-amine

4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]cyclohexan-1-amine (PubChem CID 140575695) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]cyclohexan-1-amine
PubChem CID140575695
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]cyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(OCC2CCC(N)CC2)C1
InChIInChI=1S/C17H33NO/c1-12(2)16-9-4-13(3)10-17(16)19-11-14-5-7-15(18)8-6-14/h12-17H,4-11,18H2,1-3H3
InChIKeyMAVJCFARUOJORT-UHFFFAOYSA-N
XLogP3.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[2-(3,4-Difluorohexan-2-yloxy)propyl]cyclohexyl]cyclohexan-1-amine
CID 139333277
4-[4-(3,4-Difluoro-2,5-dimethylhexoxy)cyclohexyl]cyclohexan-1-amine
CID 142414476
4-(4-Methoxycyclohexyl)cyclohexan-1-amine
CID 68018727
4-(3-Ethoxycyclohexyl)pentan-2-amine
CID 69636654
4-[4-(Methoxymethyl)cyclohexyl]cyclohexan-1-amine
CID 89574457
2-[(4aR)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl]cyclohexan-1-amine
CID 121356807
1-[4-(4-Methoxycyclohexyl)cyclohexyl]propan-1-amine
CID 126539680
Bis(4-docosoxycyclohexyl)methanamine
CID 135344057
2-Methyl-6-(4-methylcyclohexyl)-3-propoxycyclohexan-1-amine
CID 137428472
5-Ethoxy-2-(4-methylcyclohexyl)cyclohexan-1-amine
CID 137428474
3-Ethoxy-2-methyl-6-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine
CID 137428484
5-Butoxy-2-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine
CID 137428509

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]cyclohexan-1-amine?
The IUPAC name of 4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]cyclohexan-1-amine (CID 140575695) is 4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]cyclohexan-1-amine?
The canonical SMILES for 4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]cyclohexan-1-amine is CC1CCC(C(C)C)C(OCC2CCC(N)CC2)C1.
What is the InChIKey of 4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]cyclohexan-1-amine?
The InChIKey is MAVJCFARUOJORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-12(2)16-9-4-13(3)10-17(16)19-11-14-5-7-15(18)8-6-14/h12-17H,4-11,18H2,1-3H3.
What are the key properties of 4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]cyclohexan-1-amine?
4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]cyclohexan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]cyclohexan-1-amine is sourced from PubChem (CID 140575695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).