4-ethyl-2-heptoxy-N-methylcyclohexan-1-amine

C16H33NO — CID 63475286

IUPAC4-ethyl-2-heptoxy-N-methylcyclohexan-1-amine
SMILESCCCCCCCOC1CC(CC)CCC1NC
InChIInChI=1S/C16H33NO/c1-4-6-7-8-9-12-18-16-13-14(5-2)10-11-15(16)17-3/h14-17H,4-13H2,1-3H3
InChIKeyYPYGDPPOSCMHNG-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.14
Rot. Bonds9

About 4-ethyl-2-heptoxy-N-methylcyclohexan-1-amine

4-ethyl-2-heptoxy-N-methylcyclohexan-1-amine (PubChem CID 63475286) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 4-ethyl-2-heptoxy-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-2-heptoxy-N-methylcyclohexan-1-amine
PubChem CID63475286
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name4-ethyl-2-heptoxy-N-methylcyclohexan-1-amine
SMILESCCCCCCCOC1CC(CC)CCC1NC
InChIInChI=1S/C16H33NO/c1-4-6-7-8-9-12-18-16-13-14(5-2)10-11-15(16)17-3/h14-17H,4-13H2,1-3H3
InChIKeyYPYGDPPOSCMHNG-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.14
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-ethyl-2-octoxy-4-propylcyclohexan-1-amine
CID 63474035
4-ethyl-2-pentoxycyclohexane-1-carbonitrile
CID 43292948
1-ethyl-4-hexoxycyclohexane
CID 142019346
3-heptoxy-N-methylcyclobutan-1-amine
CID 66356812
1-ethyl-4-(4-octoxycyclohexyl)cyclohexane
CID 18605379
(2R,7R)-2-ethyl-7-pentoxy-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 57303967
(2S,7S)-2-ethyl-7-pentoxy-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 70506704
4-tert-butyl-2-hexoxy-N-propylcyclohexan-1-amine
CID 63474740
2-heptoxy-N,3,5-trimethylcyclohexan-1-amine
CID 64752776
heptoxycyclopropane
CID 54099544
2-(3,5-difluorophenoxy)-4-ethyl-N-methylcyclohexan-1-amine
CID 55112524
(2-pentoxy-4-propylcyclohexyl)methanamine
CID 43294257

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-heptoxy-N-methylcyclohexan-1-amine?
The IUPAC name of 4-ethyl-2-heptoxy-N-methylcyclohexan-1-amine (CID 63475286) is 4-ethyl-2-heptoxy-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-2-heptoxy-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-ethyl-2-heptoxy-N-methylcyclohexan-1-amine is CCCCCCCOC1CC(CC)CCC1NC.
What is the InChIKey of 4-ethyl-2-heptoxy-N-methylcyclohexan-1-amine?
The InChIKey is YPYGDPPOSCMHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-4-6-7-8-9-12-18-16-13-14(5-2)10-11-15(16)17-3/h14-17H,4-13H2,1-3H3.
What are the key properties of 4-ethyl-2-heptoxy-N-methylcyclohexan-1-amine?
4-ethyl-2-heptoxy-N-methylcyclohexan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-heptoxy-N-methylcyclohexan-1-amine is sourced from PubChem (CID 63475286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).