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

C18H37NO2 — CID 63686920

IUPACN-[[1-(2-propoxyethoxy)-4-propylcyclohexyl]methyl]propan-2-amine
SMILESCCCOCCOC1(CNC(C)C)CCC(CCC)CC1
InChIInChI=1S/C18H37NO2/c1-5-7-17-8-10-18(11-9-17,15-19-16(3)4)21-14-13-20-12-6-2/h16-17,19H,5-15H2,1-4H3
InChIKeyANTAEWFPUVAEPA-UHFFFAOYSA-N
MW299.50 g/mol
LogP4.16
Rot. Bonds11

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

N-[[1-(2-propoxyethoxy)-4-propylcyclohexyl]methyl]propan-2-amine (PubChem CID 63686920) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is N-[[1-(2-propoxyethoxy)-4-propylcyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-propoxyethoxy)-4-propylcyclohexyl]methyl]propan-2-amine
PubChem CID63686920
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC NameN-[[1-(2-propoxyethoxy)-4-propylcyclohexyl]methyl]propan-2-amine
SMILESCCCOCCOC1(CNC(C)C)CCC(CCC)CC1
InChIInChI=1S/C18H37NO2/c1-5-7-17-8-10-18(11-9-17,15-19-16(3)4)21-14-13-20-12-6-2/h16-17,19H,5-15H2,1-4H3
InChIKeyANTAEWFPUVAEPA-UHFFFAOYSA-N
XLogP4.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(2-propoxyethoxy)cyclohexyl]methyl]propan-2-amine
CID 63686546
N-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]propan-2-amine
CID 63473518
N-[[1-(oxan-4-yloxy)-4-propylcyclohexyl]methyl]propan-2-amine
CID 62107163
N-[(1-propoxycyclopentyl)methyl]propan-2-amine
CID 62107292
N-[[4-methyl-1-[2-(2-methylpropoxy)ethoxy]cyclohexyl]methyl]propan-2-amine
CID 106449180
1-(bromomethyl)-1-(2-butoxyethoxy)-4-propylcyclohexane
CID 63476016
1-(2-butoxyethoxy)-1-(iodomethyl)-4-propylcyclohexane
CID 114773263
N-[[1-(2-propoxyethyl)cyclobutyl]methyl]propan-2-amine
CID 106456993
N-[[1-(2-methoxyethoxy)-4-methylcyclohexyl]methyl]propan-2-amine
CID 62106730
N-[(1-ethoxy-4-propylcyclohexyl)methyl]propan-1-amine
CID 62107816
4-ethyl-1-(iodomethyl)-1-(2-propoxyethoxy)cyclohexane
CID 114774147
N-[[1-(cyclopentylmethoxy)-4-propylcyclohexyl]methyl]propan-1-amine
CID 66322903

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-propoxyethoxy)-4-propylcyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-propoxyethoxy)-4-propylcyclohexyl]methyl]propan-2-amine (CID 63686920) is N-[[1-(2-propoxyethoxy)-4-propylcyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-propoxyethoxy)-4-propylcyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-propoxyethoxy)-4-propylcyclohexyl]methyl]propan-2-amine is CCCOCCOC1(CNC(C)C)CCC(CCC)CC1.
What is the InChIKey of N-[[1-(2-propoxyethoxy)-4-propylcyclohexyl]methyl]propan-2-amine?
The InChIKey is ANTAEWFPUVAEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-5-7-17-8-10-18(11-9-17,15-19-16(3)4)21-14-13-20-12-6-2/h16-17,19H,5-15H2,1-4H3.
What are the key properties of N-[[1-(2-propoxyethoxy)-4-propylcyclohexyl]methyl]propan-2-amine?
N-[[1-(2-propoxyethoxy)-4-propylcyclohexyl]methyl]propan-2-amine has a molecular weight of 299.50 g/mol, XLogP of 4.16, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-propoxyethoxy)-4-propylcyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 63686920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).