(1-octoxy-4-propan-2-ylcyclohexyl)methanamine

C18H37NO — CID 63475733

IUPAC(1-octoxy-4-propan-2-ylcyclohexyl)methanamine
SMILESCCCCCCCCOC1(CN)CCC(C(C)C)CC1
InChIInChI=1S/C18H37NO/c1-4-5-6-7-8-9-14-20-18(15-19)12-10-17(11-13-18)16(2)3/h16-17H,4-15,19H2,1-3H3
InChIKeyFEXJGQDEBVGTMD-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.91
Rot. Bonds10

About (1-octoxy-4-propan-2-ylcyclohexyl)methanamine

(1-octoxy-4-propan-2-ylcyclohexyl)methanamine (PubChem CID 63475733) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is (1-octoxy-4-propan-2-ylcyclohexyl)methanamine.

Molecular Properties

Compound Name(1-octoxy-4-propan-2-ylcyclohexyl)methanamine
PubChem CID63475733
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name(1-octoxy-4-propan-2-ylcyclohexyl)methanamine
SMILESCCCCCCCCOC1(CN)CCC(C(C)C)CC1
InChIInChI=1S/C18H37NO/c1-4-5-6-7-8-9-14-20-18(15-19)12-10-17(11-13-18)16(2)3/h16-17H,4-15,19H2,1-3H3
InChIKeyFEXJGQDEBVGTMD-UHFFFAOYSA-N
XLogP4.91
TPSA35.25 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 ≤ 54.91
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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Frequently Asked Questions

What is the IUPAC name of (1-octoxy-4-propan-2-ylcyclohexyl)methanamine?
The IUPAC name of (1-octoxy-4-propan-2-ylcyclohexyl)methanamine (CID 63475733) is (1-octoxy-4-propan-2-ylcyclohexyl)methanamine.
What is the SMILES notation for (1-octoxy-4-propan-2-ylcyclohexyl)methanamine?
The canonical SMILES for (1-octoxy-4-propan-2-ylcyclohexyl)methanamine is CCCCCCCCOC1(CN)CCC(C(C)C)CC1.
What is the InChIKey of (1-octoxy-4-propan-2-ylcyclohexyl)methanamine?
The InChIKey is FEXJGQDEBVGTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-4-5-6-7-8-9-14-20-18(15-19)12-10-17(11-13-18)16(2)3/h16-17H,4-15,19H2,1-3H3.
What are the key properties of (1-octoxy-4-propan-2-ylcyclohexyl)methanamine?
(1-octoxy-4-propan-2-ylcyclohexyl)methanamine has a molecular weight of 283.50 g/mol, XLogP of 4.91, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-octoxy-4-propan-2-ylcyclohexyl)methanamine is sourced from PubChem (CID 63475733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).