N-[[4-ethyl-2-(propoxymethyl)cyclohexyl]methyl]propan-1-amine

C16H33NO — CID 81029863

IUPACN-[[4-ethyl-2-(propoxymethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCC(CC)CC1COCCC
InChIInChI=1S/C16H33NO/c1-4-9-17-12-15-8-7-14(6-3)11-16(15)13-18-10-5-2/h14-17H,4-13H2,1-3H3
InChIKeyNUCRRNWOPJBNJC-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.86
Rot. Bonds9

About N-[[4-ethyl-2-(propoxymethyl)cyclohexyl]methyl]propan-1-amine

N-[[4-ethyl-2-(propoxymethyl)cyclohexyl]methyl]propan-1-amine (PubChem CID 81029863) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is N-[[4-ethyl-2-(propoxymethyl)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(propoxymethyl)cyclohexyl]methyl]propan-1-amine
PubChem CID81029863
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC NameN-[[4-ethyl-2-(propoxymethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCC(CC)CC1COCCC
InChIInChI=1S/C16H33NO/c1-4-9-17-12-15-8-7-14(6-3)11-16(15)13-18-10-5-2/h14-17H,4-13H2,1-3H3
InChIKeyNUCRRNWOPJBNJC-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.86
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-(3-ethoxypropyl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 81029753
4-ethyl-2-(propoxymethyl)cyclohexane-1-carboxylic acid
CID 81021215
N-[[4-tert-butyl-2-(ethoxymethyl)cyclohexyl]methyl]propan-1-amine
CID 81030913
N-[[2-(ethoxymethyl)-4-ethylcyclohexyl]methyl]propan-2-amine
CID 81029725
1-[4-ethyl-2-(methoxymethyl)cyclohexyl]-N-methylmethanamine
CID 81031850
N-[[2-(propoxymethyl)cycloheptyl]methyl]ethanamine
CID 81025294
N-[[2-(ethoxymethyl)cycloheptyl]methyl]propan-1-amine
CID 81025395
N-[[4-methyl-2-(propoxymethyl)cyclohexyl]methyl]propan-2-amine
CID 81032198
N-[[2-(3-methylbutyl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 81029901
N-[[4-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 114533031
2-(propoxymethyl)-4-propylcyclohexan-1-amine
CID 81013169
N-[[(1R,2S)-2-methylcyclopropyl]methyl]propan-1-amine
CID 93261342

Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(propoxymethyl)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-ethyl-2-(propoxymethyl)cyclohexyl]methyl]propan-1-amine (CID 81029863) is N-[[4-ethyl-2-(propoxymethyl)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-ethyl-2-(propoxymethyl)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-ethyl-2-(propoxymethyl)cyclohexyl]methyl]propan-1-amine is CCCNCC1CCC(CC)CC1COCCC.
What is the InChIKey of N-[[4-ethyl-2-(propoxymethyl)cyclohexyl]methyl]propan-1-amine?
The InChIKey is NUCRRNWOPJBNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-4-9-17-12-15-8-7-14(6-3)11-16(15)13-18-10-5-2/h14-17H,4-13H2,1-3H3.
What are the key properties of N-[[4-ethyl-2-(propoxymethyl)cyclohexyl]methyl]propan-1-amine?
N-[[4-ethyl-2-(propoxymethyl)cyclohexyl]methyl]propan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(propoxymethyl)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 81029863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).