N-ethyl-6-heptoxy-2,2-dimethylcyclohexan-1-amine

C17H35NO — CID 79835866

IUPACN-ethyl-6-heptoxy-2,2-dimethylcyclohexan-1-amine
SMILESCCCCCCCOC1CCCC(C)(C)C1NCC
InChIInChI=1S/C17H35NO/c1-5-7-8-9-10-14-19-15-12-11-13-17(3,4)16(15)18-6-2/h15-16,18H,5-14H2,1-4H3
InChIKeyJOOOIHAOIHYYQL-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.53
Rot. Bonds9

About N-ethyl-6-heptoxy-2,2-dimethylcyclohexan-1-amine

N-ethyl-6-heptoxy-2,2-dimethylcyclohexan-1-amine (PubChem CID 79835866) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N-ethyl-6-heptoxy-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-6-heptoxy-2,2-dimethylcyclohexan-1-amine
PubChem CID79835866
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC NameN-ethyl-6-heptoxy-2,2-dimethylcyclohexan-1-amine
SMILESCCCCCCCOC1CCCC(C)(C)C1NCC
InChIInChI=1S/C17H35NO/c1-5-7-8-9-10-14-19-15-12-11-13-17(3,4)16(15)18-6-2/h15-16,18H,5-14H2,1-4H3
InChIKeyJOOOIHAOIHYYQL-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.53
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-hexoxycycloheptan-1-amine
CID 55135932
N-ethyl-2-octoxycycloheptan-1-amine
CID 63473760
N-ethyl-2,2-dimethyl-5-(3-methylbutoxy)cyclopentan-1-amine
CID 79856244
5-butoxy-N,2,2-trimethylcyclopentan-1-amine
CID 79857081
N-ethyl-6-(1-methoxypropan-2-yloxy)-2,2-dimethylcyclohexan-1-amine
CID 79836067
2,2-dimethyl-N-propyl-5-(4,4,4-trifluorobutoxy)cyclopentan-1-amine
CID 82789739
2-octoxy-N-propylcyclooctan-1-amine
CID 63476166
2-octoxy-N-propylcycloheptan-1-amine
CID 63473942
2-octoxycyclohexan-1-amine
CID 43127889
2-heptoxycyclohexan-1-ol
CID 18953012
2,2-dimethyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine
CID 79836595
1,2-dibutoxycyclohexane
CID 24962665

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-heptoxy-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-ethyl-6-heptoxy-2,2-dimethylcyclohexan-1-amine (CID 79835866) is N-ethyl-6-heptoxy-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-6-heptoxy-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-6-heptoxy-2,2-dimethylcyclohexan-1-amine is CCCCCCCOC1CCCC(C)(C)C1NCC.
What is the InChIKey of N-ethyl-6-heptoxy-2,2-dimethylcyclohexan-1-amine?
The InChIKey is JOOOIHAOIHYYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-5-7-8-9-10-14-19-15-12-11-13-17(3,4)16(15)18-6-2/h15-16,18H,5-14H2,1-4H3.
What are the key properties of N-ethyl-6-heptoxy-2,2-dimethylcyclohexan-1-amine?
N-ethyl-6-heptoxy-2,2-dimethylcyclohexan-1-amine has a molecular weight of 269.47 g/mol, XLogP of 4.53, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-heptoxy-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79835866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).