N-[[4-butyl-1-(2-methoxyethyl)cyclohexyl]methyl]propan-1-amine

C17H35NO — CID 63522013

IUPACN-[[4-butyl-1-(2-methoxyethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCCC1CCC(CCOC)(CNCCC)CC1
InChIInChI=1S/C17H35NO/c1-4-6-7-16-8-10-17(11-9-16,12-14-19-3)15-18-13-5-2/h16,18H,4-15H2,1-3H3
InChIKeySJEXRWYDDZVXEI-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.39
Rot. Bonds10

About N-[[4-butyl-1-(2-methoxyethyl)cyclohexyl]methyl]propan-1-amine

N-[[4-butyl-1-(2-methoxyethyl)cyclohexyl]methyl]propan-1-amine (PubChem CID 63522013) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N-[[4-butyl-1-(2-methoxyethyl)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-butyl-1-(2-methoxyethyl)cyclohexyl]methyl]propan-1-amine
PubChem CID63522013
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC NameN-[[4-butyl-1-(2-methoxyethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCCC1CCC(CCOC)(CNCCC)CC1
InChIInChI=1S/C17H35NO/c1-4-6-7-16-8-10-17(11-9-16,12-14-19-3)15-18-13-5-2/h16,18H,4-15H2,1-3H3
InChIKeySJEXRWYDDZVXEI-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[4-butyl-1-(2-methoxyethyl)cyclohexyl]methyl]propan-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

N-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 103984483
N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]propan-1-amine
CID 63507372
N-[(1,4-dibutylcyclohexyl)methyl]ethanamine
CID 63523259
N-[[4-butyl-1-(2-propan-2-yloxyethyl)cyclohexyl]methyl]ethanamine
CID 63522916
N-[[1-(3-methoxypropyl)cyclopropyl]methyl]propan-1-amine
CID 66025997
N-[(1-benzyl-4-butylcyclohexyl)methyl]propan-1-amine
CID 63522017
[4-butyl-1-(3-methoxypropyl)cyclohexyl]methanamine
CID 62739053
N-[(1-butyl-4-tert-butylcyclohexyl)methyl]-2-methoxyethanamine
CID 63509628
1-[4-butyl-1-(2-propoxyethyl)cyclohexyl]-N-methylmethanamine
CID 106456822
1-[4-butyl-1-(2-ethoxyethyl)cyclohexyl]-N-methylmethanamine
CID 62724574
N-[(1-hexylcyclopropyl)methyl]-2-methoxyethanamine
CID 66026488
1-[4-butyl-1-(methoxymethyl)cyclohexyl]-N-methylmethanamine
CID 103984471

Frequently Asked Questions

What is the IUPAC name of N-[[4-butyl-1-(2-methoxyethyl)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-butyl-1-(2-methoxyethyl)cyclohexyl]methyl]propan-1-amine (CID 63522013) is N-[[4-butyl-1-(2-methoxyethyl)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-butyl-1-(2-methoxyethyl)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-butyl-1-(2-methoxyethyl)cyclohexyl]methyl]propan-1-amine is CCCCC1CCC(CCOC)(CNCCC)CC1.
What is the InChIKey of N-[[4-butyl-1-(2-methoxyethyl)cyclohexyl]methyl]propan-1-amine?
The InChIKey is SJEXRWYDDZVXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-4-6-7-16-8-10-17(11-9-16,12-14-19-3)15-18-13-5-2/h16,18H,4-15H2,1-3H3.
What are the key properties of N-[[4-butyl-1-(2-methoxyethyl)cyclohexyl]methyl]propan-1-amine?
N-[[4-butyl-1-(2-methoxyethyl)cyclohexyl]methyl]propan-1-amine has a molecular weight of 269.47 g/mol, XLogP of 4.39, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-butyl-1-(2-methoxyethyl)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 63522013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).