1-(1-methoxy-4-methylcyclohexyl)-2-methyl-N-propylprop-2-en-1-amine

C15H29NO — CID 116766773

IUPAC1-(1-methoxy-4-methylcyclohexyl)-2-methyl-N-propylprop-2-en-1-amine
SMILESC=C(C)C(NCCC)C1(OC)CCC(C)CC1
InChIInChI=1S/C15H29NO/c1-6-11-16-14(12(2)3)15(17-5)9-7-13(4)8-10-15/h13-14,16H,2,6-11H2,1,3-5H3
InChIKeyIUADMAXRGMTCKR-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.53
Rot. Bonds6

About 1-(1-methoxy-4-methylcyclohexyl)-2-methyl-N-propylprop-2-en-1-amine

1-(1-methoxy-4-methylcyclohexyl)-2-methyl-N-propylprop-2-en-1-amine (PubChem CID 116766773) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-(1-methoxy-4-methylcyclohexyl)-2-methyl-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(1-methoxy-4-methylcyclohexyl)-2-methyl-N-propylprop-2-en-1-amine
PubChem CID116766773
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-(1-methoxy-4-methylcyclohexyl)-2-methyl-N-propylprop-2-en-1-amine
SMILESC=C(C)C(NCCC)C1(OC)CCC(C)CC1
InChIInChI=1S/C15H29NO/c1-6-11-16-14(12(2)3)15(17-5)9-7-13(4)8-10-15/h13-14,16H,2,6-11H2,1,3-5H3
InChIKeyIUADMAXRGMTCKR-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1-methoxy-4-methylcyclohexyl)-2-methyl-N-propylprop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(1-ethoxy-4-methylcyclohexyl)-2-methylprop-2-enyl]hydrazine
CID 105277383
N-[(1-methoxy-4-methylcyclohexyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 116766820
N-[1-(1-methoxy-4-methylcyclohexyl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 116766778
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 116766647
2-methyl-1-(1-methylcyclopentyl)-N-propylprop-2-en-1-amine
CID 105005477
1-(1-methoxy-3-methylcyclohexyl)-N,2-dimethylprop-2-en-1-amine
CID 116767764
1-(1-methoxy-4-methylcyclohexyl)hexan-1-ol
CID 116754485
1-(1-methoxycyclopentyl)-3-methyl-N-propylbut-3-en-1-amine
CID 104611348
(1S)-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine
CID 104932362
1-(1-methoxycycloheptyl)-3-methyl-N-propylbut-3-en-1-amine
CID 116770456
N-[2-cyclopropyl-1-(1-ethoxy-4-methylcyclohexyl)ethyl]propan-1-amine
CID 116767388
N-[1-(1-methoxy-4-methylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 116766787

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-4-methylcyclohexyl)-2-methyl-N-propylprop-2-en-1-amine?
The IUPAC name of 1-(1-methoxy-4-methylcyclohexyl)-2-methyl-N-propylprop-2-en-1-amine (CID 116766773) is 1-(1-methoxy-4-methylcyclohexyl)-2-methyl-N-propylprop-2-en-1-amine.
What is the SMILES notation for 1-(1-methoxy-4-methylcyclohexyl)-2-methyl-N-propylprop-2-en-1-amine?
The canonical SMILES for 1-(1-methoxy-4-methylcyclohexyl)-2-methyl-N-propylprop-2-en-1-amine is C=C(C)C(NCCC)C1(OC)CCC(C)CC1.
What is the InChIKey of 1-(1-methoxy-4-methylcyclohexyl)-2-methyl-N-propylprop-2-en-1-amine?
The InChIKey is IUADMAXRGMTCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-6-11-16-14(12(2)3)15(17-5)9-7-13(4)8-10-15/h13-14,16H,2,6-11H2,1,3-5H3.
What are the key properties of 1-(1-methoxy-4-methylcyclohexyl)-2-methyl-N-propylprop-2-en-1-amine?
1-(1-methoxy-4-methylcyclohexyl)-2-methyl-N-propylprop-2-en-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-4-methylcyclohexyl)-2-methyl-N-propylprop-2-en-1-amine is sourced from PubChem (CID 116766773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).