N-[[1-[2-(3-methoxypropoxy)ethoxy]-3-methylcyclohexyl]methyl]propan-1-amine

C17H35NO3 — CID 103180376

IUPACN-[[1-[2-(3-methoxypropoxy)ethoxy]-3-methylcyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(OCCOCCCOC)CCCC(C)C1
InChIInChI=1S/C17H35NO3/c1-4-9-18-15-17(8-5-7-16(2)14-17)21-13-12-20-11-6-10-19-3/h16,18H,4-15H2,1-3H3
InChIKeyPNOCUHPAQUJLCC-UHFFFAOYSA-N
MW301.47 g/mol
LogP3.00
Rot. Bonds12

About N-[[1-[2-(3-methoxypropoxy)ethoxy]-3-methylcyclohexyl]methyl]propan-1-amine

N-[[1-[2-(3-methoxypropoxy)ethoxy]-3-methylcyclohexyl]methyl]propan-1-amine (PubChem CID 103180376) has the molecular formula C17H35NO3 and a molecular weight of 301.47 g/mol. Its IUPAC name is N-[[1-[2-(3-methoxypropoxy)ethoxy]-3-methylcyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[2-(3-methoxypropoxy)ethoxy]-3-methylcyclohexyl]methyl]propan-1-amine
PubChem CID103180376
Molecular FormulaC17H35NO3
Molecular Weight301.47 g/mol
Exact Mass301.26
IUPAC NameN-[[1-[2-(3-methoxypropoxy)ethoxy]-3-methylcyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(OCCOCCCOC)CCCC(C)C1
InChIInChI=1S/C17H35NO3/c1-4-9-18-15-17(8-5-7-16(2)14-17)21-13-12-20-11-6-10-19-3/h16,18H,4-15H2,1-3H3
InChIKeyPNOCUHPAQUJLCC-UHFFFAOYSA-N
XLogP3.00
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[2-(2-methoxyethoxy)ethoxy]-3-methylcyclohexyl]methyl]ethanamine
CID 104565665
N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]propan-2-amine
CID 62110767
N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 55036396
N-[(3-methyl-1-phenylmethoxycyclohexyl)methyl]propan-1-amine
CID 63473709
N-ethyl-2-[1-[2-(3-methoxypropoxy)ethoxy]cyclobutyl]ethanamine
CID 103274564
N-[(1-butoxy-3-methylcyclohexyl)methyl]cyclopropanamine
CID 62109925
1-[1-[2-(3-methoxypropoxy)ethoxy]-4-methylcyclohexyl]-N-methylmethanamine
CID 103180422
N-[[1-[2-(3-methoxypropoxy)ethoxy]cyclopentyl]methyl]cyclopropanamine
CID 103180337
N-[[1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]cyclopropanamine
CID 103180407
1-(chloromethyl)-N-[2-(3-methoxypropoxy)ethyl]-3-methylcyclohexan-1-amine
CID 103183987
1-(chloromethyl)-N-[3-(2-methoxyethoxy)propyl]-3-methylcyclohexan-1-amine
CID 103413064
N-[[4-ethyl-1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]ethanamine
CID 103180350

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3-methoxypropoxy)ethoxy]-3-methylcyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[2-(3-methoxypropoxy)ethoxy]-3-methylcyclohexyl]methyl]propan-1-amine (CID 103180376) is N-[[1-[2-(3-methoxypropoxy)ethoxy]-3-methylcyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[2-(3-methoxypropoxy)ethoxy]-3-methylcyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[2-(3-methoxypropoxy)ethoxy]-3-methylcyclohexyl]methyl]propan-1-amine is CCCNCC1(OCCOCCCOC)CCCC(C)C1.
What is the InChIKey of N-[[1-[2-(3-methoxypropoxy)ethoxy]-3-methylcyclohexyl]methyl]propan-1-amine?
The InChIKey is PNOCUHPAQUJLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO3/c1-4-9-18-15-17(8-5-7-16(2)14-17)21-13-12-20-11-6-10-19-3/h16,18H,4-15H2,1-3H3.
What are the key properties of N-[[1-[2-(3-methoxypropoxy)ethoxy]-3-methylcyclohexyl]methyl]propan-1-amine?
N-[[1-[2-(3-methoxypropoxy)ethoxy]-3-methylcyclohexyl]methyl]propan-1-amine has a molecular weight of 301.47 g/mol, XLogP of 3.00, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(3-methoxypropoxy)ethoxy]-3-methylcyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 103180376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).