N-[[2-(3-methoxypropyl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine

C18H37NO — CID 81031272

IUPACN-[[2-(3-methoxypropyl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCOCCCC1CC(C(C)C)CCC1CNC(C)(C)C
InChIInChI=1S/C18H37NO/c1-14(2)15-9-10-17(13-19-18(3,4)5)16(12-15)8-7-11-20-6/h14-17,19H,7-13H2,1-6H3
InChIKeyQHVZRHVMIFVROO-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.49
Rot. Bonds7

About N-[[2-(3-methoxypropyl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine

N-[[2-(3-methoxypropyl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine (PubChem CID 81031272) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is N-[[2-(3-methoxypropyl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-methoxypropyl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine
PubChem CID81031272
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC NameN-[[2-(3-methoxypropyl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCOCCCC1CC(C(C)C)CCC1CNC(C)(C)C
InChIInChI=1S/C18H37NO/c1-14(2)15-9-10-17(13-19-18(3,4)5)16(12-15)8-7-11-20-6/h14-17,19H,7-13H2,1-6H3
InChIKeyQHVZRHVMIFVROO-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(methoxymethyl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81030307
1-[2-(4-methoxybutyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine
CID 113437285
N-[[2-[3-(2-methoxyethoxy)propyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 103415897
2-methyl-N-[[2-(2-methylbutyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81031122
2-(4-methoxybutyl)-4-propan-2-ylcyclohexan-1-ol
CID 104649029
1-[2-(3-methoxy-3-methylbutyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine
CID 103020146
N-[[2-(3-methoxypropyl)cyclobutyl]methyl]propan-2-amine
CID 81017330
2-methyl-N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81026173
2-methyl-N-[[2-(oxan-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 107138156
2-methyl-N-[[2-(4-methylpentyl)-4-propylcyclohexyl]methyl]propan-2-amine
CID 83148411
N-methyl-1-(4-propan-2-yl-2-propylcyclohexyl)methanamine
CID 81028967
2-methyl-N-[(4-methyl-2-octylcyclohexyl)methyl]propan-2-amine
CID 81033652

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methoxypropyl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(3-methoxypropyl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine (CID 81031272) is N-[[2-(3-methoxypropyl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(3-methoxypropyl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(3-methoxypropyl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine is COCCCC1CC(C(C)C)CCC1CNC(C)(C)C.
What is the InChIKey of N-[[2-(3-methoxypropyl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine?
The InChIKey is QHVZRHVMIFVROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-14(2)15-9-10-17(13-19-18(3,4)5)16(12-15)8-7-11-20-6/h14-17,19H,7-13H2,1-6H3.
What are the key properties of N-[[2-(3-methoxypropyl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine?
N-[[2-(3-methoxypropyl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine has a molecular weight of 283.50 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methoxypropyl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81031272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).