1-[2-(3-methoxy-3-methylbutyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine

C17H35NO — CID 103020146

IUPAC1-[2-(3-methoxy-3-methylbutyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C(C)C)CC1CCC(C)(C)OC
InChIInChI=1S/C17H35NO/c1-13(2)14-7-8-16(12-18-5)15(11-14)9-10-17(3,4)19-6/h13-16,18H,7-12H2,1-6H3
InChIKeyPGECVOGALLXAOV-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.10
Rot. Bonds7

About 1-[2-(3-methoxy-3-methylbutyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine

1-[2-(3-methoxy-3-methylbutyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine (PubChem CID 103020146) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 1-[2-(3-methoxy-3-methylbutyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-methoxy-3-methylbutyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine
PubChem CID103020146
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name1-[2-(3-methoxy-3-methylbutyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C(C)C)CC1CCC(C)(C)OC
InChIInChI=1S/C17H35NO/c1-13(2)14-7-8-16(12-18-5)15(11-14)9-10-17(3,4)19-6/h13-16,18H,7-12H2,1-6H3
InChIKeyPGECVOGALLXAOV-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[4-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
CID 81025585
N-methyl-1-[4-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
CID 81032573
N-(2-cyclohexylpropan-2-yloxymethyl)nonan-1-amine
CID 91571459
3-methoxy-N,5-dimethyl-3-[2-[2-methyl-3-[2-(methylamino)ethyl]-4-(2-methylpropyl)cyclobutyl]propyl]hexan-1-amine
CID 123138948
4-Dodecan-6-yl-4-methoxypiperidine
CID 135229331
4-(2-methoxypropan-2-yl)-N-methyldodecan-1-amine
CID 151925387
1-[2-ethyl-5-(methoxymethyl)cyclohexyl]-N-methylmethanamine
CID 155039456
1-(1-heptoxy-4-propan-2-ylcyclohexyl)-N-methylmethanamine
CID 63474453
N-[(1-heptoxy-4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 63474628
N-methyl-1-(1-octoxy-4-propan-2-ylcyclohexyl)methanamine
CID 63476090
N-ethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyhexan-1-amine
CID 64292149
N-methyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyhexan-1-amine
CID 64292354

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxy-3-methylbutyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-methoxy-3-methylbutyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine (CID 103020146) is 1-[2-(3-methoxy-3-methylbutyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-methoxy-3-methylbutyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-methoxy-3-methylbutyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine is CNCC1CCC(C(C)C)CC1CCC(C)(C)OC.
What is the InChIKey of 1-[2-(3-methoxy-3-methylbutyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine?
The InChIKey is PGECVOGALLXAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-13(2)14-7-8-16(12-18-5)15(11-14)9-10-17(3,4)19-6/h13-16,18H,7-12H2,1-6H3.
What are the key properties of 1-[2-(3-methoxy-3-methylbutyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine?
1-[2-(3-methoxy-3-methylbutyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine has a molecular weight of 269.47 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxy-3-methylbutyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 103020146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).