N-[[4-tert-butyl-1-(2-ethoxyethyl)cyclohexyl]methyl]ethanamine

C17H35NO — CID 62724223

IUPACN-[[4-tert-butyl-1-(2-ethoxyethyl)cyclohexyl]methyl]ethanamine
SMILESCCNCC1(CCOCC)CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H35NO/c1-6-18-14-17(12-13-19-7-2)10-8-15(9-11-17)16(3,4)5/h15,18H,6-14H2,1-5H3
InChIKeyVKUIKEXORVRTPG-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.25
Rot. Bonds7

About N-[[4-tert-butyl-1-(2-ethoxyethyl)cyclohexyl]methyl]ethanamine

N-[[4-tert-butyl-1-(2-ethoxyethyl)cyclohexyl]methyl]ethanamine (PubChem CID 62724223) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N-[[4-tert-butyl-1-(2-ethoxyethyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-tert-butyl-1-(2-ethoxyethyl)cyclohexyl]methyl]ethanamine
PubChem CID62724223
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC NameN-[[4-tert-butyl-1-(2-ethoxyethyl)cyclohexyl]methyl]ethanamine
SMILESCCNCC1(CCOCC)CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H35NO/c1-6-18-14-17(12-13-19-7-2)10-8-15(9-11-17)16(3,4)5/h15,18H,6-14H2,1-5H3
InChIKeyVKUIKEXORVRTPG-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.25
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

N-[[4-tert-butyl-1-(methoxymethyl)cyclohexyl]methyl]ethanamine
CID 113361862
N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]propan-1-amine
CID 63507372
N-[(1-butyl-4-tert-butylcyclohexyl)methyl]-2-methoxyethanamine
CID 63509628
N-[[1-(2-propoxyethyl)cyclopropyl]methyl]ethanamine
CID 106457012
N-[[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]cyclobutyl]methyl]ethanamine
CID 104566642
1-(4-tert-butyl-1-pentylcyclohexyl)-N-methylmethanamine
CID 63509791
N-[[4-tert-butyl-1-(methoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 103984545
[4-tert-butyl-1-[2-(3-methoxypropoxy)ethyl]cyclohexyl]methanol
CID 103184925
1-[4-butyl-1-(2-ethoxyethyl)cyclohexyl]-N-methylmethanamine
CID 62724574
4-tert-butyl-1-methyl-1-propoxycyclohexane
CID 166671963
N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]cyclopropanamine
CID 62725035
N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]methyl]ethanamine
CID 112591476

Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-1-(2-ethoxyethyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[4-tert-butyl-1-(2-ethoxyethyl)cyclohexyl]methyl]ethanamine (CID 62724223) is N-[[4-tert-butyl-1-(2-ethoxyethyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-tert-butyl-1-(2-ethoxyethyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[4-tert-butyl-1-(2-ethoxyethyl)cyclohexyl]methyl]ethanamine is CCNCC1(CCOCC)CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[[4-tert-butyl-1-(2-ethoxyethyl)cyclohexyl]methyl]ethanamine?
The InChIKey is VKUIKEXORVRTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-6-18-14-17(12-13-19-7-2)10-8-15(9-11-17)16(3,4)5/h15,18H,6-14H2,1-5H3.
What are the key properties of N-[[4-tert-butyl-1-(2-ethoxyethyl)cyclohexyl]methyl]ethanamine?
N-[[4-tert-butyl-1-(2-ethoxyethyl)cyclohexyl]methyl]ethanamine has a molecular weight of 269.47 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-tert-butyl-1-(2-ethoxyethyl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 62724223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).