N-[[2-(3-ethoxypropyl)-4-propylcyclohexyl]methyl]propan-1-amine

C18H37NO — CID 81029753

IUPACN-[[2-(3-ethoxypropyl)-4-propylcyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCC(CCC)CC1CCCOCC
InChIInChI=1S/C18H37NO/c1-4-8-16-10-11-18(15-19-12-5-2)17(14-16)9-7-13-20-6-3/h16-19H,4-15H2,1-3H3
InChIKeyIONGBMKUXCHWBO-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.64
Rot. Bonds11

About N-[[2-(3-ethoxypropyl)-4-propylcyclohexyl]methyl]propan-1-amine

N-[[2-(3-ethoxypropyl)-4-propylcyclohexyl]methyl]propan-1-amine (PubChem CID 81029753) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is N-[[2-(3-ethoxypropyl)-4-propylcyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-ethoxypropyl)-4-propylcyclohexyl]methyl]propan-1-amine
PubChem CID81029753
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC NameN-[[2-(3-ethoxypropyl)-4-propylcyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCC(CCC)CC1CCCOCC
InChIInChI=1S/C18H37NO/c1-4-8-16-10-11-18(15-19-12-5-2)17(14-16)9-7-13-20-6-3/h16-19H,4-15H2,1-3H3
InChIKeyIONGBMKUXCHWBO-UHFFFAOYSA-N
XLogP4.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.64
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

2-(3-ethoxypropyl)-N,4-dipropylcyclohexan-1-amine
CID 65180818
N-[[2-(3-methylbutyl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 81029901
N-[[2-(3-methylbut-3-enyl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 114477761
N-[[2-(3-methoxypropyl)-4-methylcyclohexyl]methyl]propan-1-amine
CID 81031362
N-[[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-1-amine
CID 81033298
N-[[4-ethyl-2-(propoxymethyl)cyclohexyl]methyl]propan-1-amine
CID 81029863
1-(2-hexyl-4-propylcyclohexyl)-N-methylmethanamine
CID 81029078
2-[3-(2-methoxyethoxy)propyl]-N,4-dipropylcyclohexan-1-amine
CID 103410737
N-[[4-methyl-2-(4-methylpentyl)cyclohexyl]methyl]propan-1-amine
CID 83163463
N-[(2-butylcyclohexyl)methyl]propan-1-amine
CID 81028150
N-[[2-(ethoxymethyl)cycloheptyl]methyl]propan-1-amine
CID 81025395
N-[[2-(3-methylcyclohexyl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 81034865

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethoxypropyl)-4-propylcyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3-ethoxypropyl)-4-propylcyclohexyl]methyl]propan-1-amine (CID 81029753) is N-[[2-(3-ethoxypropyl)-4-propylcyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3-ethoxypropyl)-4-propylcyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3-ethoxypropyl)-4-propylcyclohexyl]methyl]propan-1-amine is CCCNCC1CCC(CCC)CC1CCCOCC.
What is the InChIKey of N-[[2-(3-ethoxypropyl)-4-propylcyclohexyl]methyl]propan-1-amine?
The InChIKey is IONGBMKUXCHWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-4-8-16-10-11-18(15-19-12-5-2)17(14-16)9-7-13-20-6-3/h16-19H,4-15H2,1-3H3.
What are the key properties of N-[[2-(3-ethoxypropyl)-4-propylcyclohexyl]methyl]propan-1-amine?
N-[[2-(3-ethoxypropyl)-4-propylcyclohexyl]methyl]propan-1-amine has a molecular weight of 283.50 g/mol, XLogP of 4.64, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethoxypropyl)-4-propylcyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 81029753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).