2-heptoxy-3,5-dimethyl-N-propylcyclohexan-1-amine

C18H37NO — CID 64752974

IUPAC2-heptoxy-3,5-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCCCCCOC1C(C)CC(C)CC1NCCC
InChIInChI=1S/C18H37NO/c1-5-7-8-9-10-12-20-18-16(4)13-15(3)14-17(18)19-11-6-2/h15-19H,5-14H2,1-4H3
InChIKeyVBCOLJUBUXPMBX-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.78
Rot. Bonds10

About 2-heptoxy-3,5-dimethyl-N-propylcyclohexan-1-amine

2-heptoxy-3,5-dimethyl-N-propylcyclohexan-1-amine (PubChem CID 64752974) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 2-heptoxy-3,5-dimethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-heptoxy-3,5-dimethyl-N-propylcyclohexan-1-amine
PubChem CID64752974
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name2-heptoxy-3,5-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCCCCCOC1C(C)CC(C)CC1NCCC
InChIInChI=1S/C18H37NO/c1-5-7-8-9-10-12-20-18-16(4)13-15(3)14-17(18)19-11-6-2/h15-19H,5-14H2,1-4H3
InChIKeyVBCOLJUBUXPMBX-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.78
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-hexoxy-3,5-dimethylcyclohexan-1-amine
CID 64752582
2-heptoxy-N,3,5-trimethylcyclohexan-1-amine
CID 64752776
N,3,5-trimethyl-2-pentoxycyclohexan-1-amine
CID 64753575
2-(2-cyclopropylethoxy)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 106200648
3-octoxy-2-propoxy-N-propylcyclobutan-1-amine
CID 107943487
N-ethyl-3,5-dimethyl-2-propoxycyclohexan-1-amine
CID 64753175
2-cyclobutyloxy-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64752391
2-ethoxy-3-heptoxy-N-propylcyclobutan-1-amine
CID 104676257
2-(cyclohexylmethoxy)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64753382
N-ethyl-3,5-dimethyl-2-(4-methylpentoxy)cyclohexan-1-amine
CID 64751794
2-ethoxy-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64751781
2-octoxy-N-propylcyclooctan-1-amine
CID 63476166

Frequently Asked Questions

What is the IUPAC name of 2-heptoxy-3,5-dimethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-heptoxy-3,5-dimethyl-N-propylcyclohexan-1-amine (CID 64752974) is 2-heptoxy-3,5-dimethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-heptoxy-3,5-dimethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-heptoxy-3,5-dimethyl-N-propylcyclohexan-1-amine is CCCCCCCOC1C(C)CC(C)CC1NCCC.
What is the InChIKey of 2-heptoxy-3,5-dimethyl-N-propylcyclohexan-1-amine?
The InChIKey is VBCOLJUBUXPMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-5-7-8-9-10-12-20-18-16(4)13-15(3)14-17(18)19-11-6-2/h15-19H,5-14H2,1-4H3.
What are the key properties of 2-heptoxy-3,5-dimethyl-N-propylcyclohexan-1-amine?
2-heptoxy-3,5-dimethyl-N-propylcyclohexan-1-amine has a molecular weight of 283.50 g/mol, XLogP of 4.78, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptoxy-3,5-dimethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64752974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).