N-ethyl-2-[2-(2-methylpropoxy)ethyl]-4-propan-2-ylcyclohexan-1-amine

C17H35NO — CID 106454513

IUPACN-ethyl-2-[2-(2-methylpropoxy)ethyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCCNC1CCC(C(C)C)CC1CCOCC(C)C
InChIInChI=1S/C17H35NO/c1-6-18-17-8-7-15(14(4)5)11-16(17)9-10-19-12-13(2)3/h13-18H,6-12H2,1-5H3
InChIKeyGSTYRZSLQBVQKM-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.10
Rot. Bonds8

About N-ethyl-2-[2-(2-methylpropoxy)ethyl]-4-propan-2-ylcyclohexan-1-amine

N-ethyl-2-[2-(2-methylpropoxy)ethyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 106454513) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N-ethyl-2-[2-(2-methylpropoxy)ethyl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[2-(2-methylpropoxy)ethyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID106454513
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC NameN-ethyl-2-[2-(2-methylpropoxy)ethyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCCNC1CCC(C(C)C)CC1CCOCC(C)C
InChIInChI=1S/C17H35NO/c1-6-18-17-8-7-15(14(4)5)11-16(17)9-10-19-12-13(2)3/h13-18H,6-12H2,1-5H3
InChIKeyGSTYRZSLQBVQKM-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.10
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-(2-methoxyethyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 62740231
N-ethyl-4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 116616694
2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 63690532
N-ethyl-2-(2-methylpentyl)-4-propan-2-ylcyclohexan-1-amine
CID 55186543
2-(4-methylpentyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 83158482
N-ethyl-2-[[ethyl(propyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63483436
N-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62708674
4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-amine
CID 106454508
2-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 64522640
2-[[cyclobutylmethyl(methyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 63494522
2-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 63484331
N-ethyl-2-methylsulfanyl-4-propan-2-ylcyclohexan-1-amine
CID 64627479

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(2-methylpropoxy)ethyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-ethyl-2-[2-(2-methylpropoxy)ethyl]-4-propan-2-ylcyclohexan-1-amine (CID 106454513) is N-ethyl-2-[2-(2-methylpropoxy)ethyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-[2-(2-methylpropoxy)ethyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-[2-(2-methylpropoxy)ethyl]-4-propan-2-ylcyclohexan-1-amine is CCNC1CCC(C(C)C)CC1CCOCC(C)C.
What is the InChIKey of N-ethyl-2-[2-(2-methylpropoxy)ethyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is GSTYRZSLQBVQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-6-18-17-8-7-15(14(4)5)11-16(17)9-10-19-12-13(2)3/h13-18H,6-12H2,1-5H3.
What are the key properties of N-ethyl-2-[2-(2-methylpropoxy)ethyl]-4-propan-2-ylcyclohexan-1-amine?
N-ethyl-2-[2-(2-methylpropoxy)ethyl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 269.47 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(2-methylpropoxy)ethyl]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 106454513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).