1-(4,4-dimethylcyclohexyl)-N-ethyl-2-propoxyethanamine

C15H31NO — CID 79573964

IUPAC1-(4,4-dimethylcyclohexyl)-N-ethyl-2-propoxyethanamine
SMILESCCCOCC(NCC)C1CCC(C)(C)CC1
InChIInChI=1S/C15H31NO/c1-5-11-17-12-14(16-6-2)13-7-9-15(3,4)10-8-13/h13-14,16H,5-12H2,1-4H3
InChIKeyPAAJAPKSNAOWLV-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.61
Rot. Bonds7

About 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-propoxyethanamine

1-(4,4-dimethylcyclohexyl)-N-ethyl-2-propoxyethanamine (PubChem CID 79573964) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-propoxyethanamine.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-N-ethyl-2-propoxyethanamine
PubChem CID79573964
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1-(4,4-dimethylcyclohexyl)-N-ethyl-2-propoxyethanamine
SMILESCCCOCC(NCC)C1CCC(C)(C)CC1
InChIInChI=1S/C15H31NO/c1-5-11-17-12-14(16-6-2)13-7-9-15(3,4)10-8-13/h13-14,16H,5-12H2,1-4H3
InChIKeyPAAJAPKSNAOWLV-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.61
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-butoxy-1-cyclopentyl-N-ethylethanamine
CID 104749090
1-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxy-N-ethylethanamine
CID 114340882
N-ethyl-1-(oxolan-3-yl)-2-propoxyethanamine
CID 63564947
1-(4,4-dimethylcyclohexyl)-2-propoxyethanamine
CID 79575349
N-[1-cyclopentyl-2-(2-propoxyethoxy)ethyl]propan-1-amine
CID 104749456
1-(4,4-difluorocyclohexyl)-2-ethoxy-N-ethylethanamine
CID 105165065
2-cyclopropyl-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 65391637
N-(1-cyclobutyl-2-propoxyethyl)propan-1-amine
CID 79574757
1-(4,4-dimethylcyclohexyl)-N-ethyl-4-methoxybutan-1-amine
CID 114855905
1-cyclopropyl-N-methyl-2-(2-propoxyethoxy)ethanamine
CID 63907333
1-(4,4-difluorocyclohexyl)-N-ethyl-2-methoxyethanamine
CID 105165589
1-(4,4-dimethylcyclohexyl)-N-ethyl-3-methylbut-3-en-1-amine
CID 79185954

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-propoxyethanamine?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-propoxyethanamine (CID 79573964) is 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-propoxyethanamine.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-propoxyethanamine?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-propoxyethanamine is CCCOCC(NCC)C1CCC(C)(C)CC1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-propoxyethanamine?
The InChIKey is PAAJAPKSNAOWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-5-11-17-12-14(16-6-2)13-7-9-15(3,4)10-8-13/h13-14,16H,5-12H2,1-4H3.
What are the key properties of 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-propoxyethanamine?
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-propoxyethanamine has a molecular weight of 241.42 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-propoxyethanamine is sourced from PubChem (CID 79573964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).