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

C17H35NO — CID 63475707

IUPAC(1-heptoxy-4-propan-2-ylcyclohexyl)methanamine
SMILESCCCCCCCOC1(CN)CCC(C(C)C)CC1
InChIInChI=1S/C17H35NO/c1-4-5-6-7-8-13-19-17(14-18)11-9-16(10-12-17)15(2)3/h15-16H,4-14,18H2,1-3H3
InChIKeySGQBFJLTXHEUDW-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.52
Rot. Bonds9

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

(1-heptoxy-4-propan-2-ylcyclohexyl)methanamine (PubChem CID 63475707) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is (1-heptoxy-4-propan-2-ylcyclohexyl)methanamine.

Molecular Properties

Compound Name(1-heptoxy-4-propan-2-ylcyclohexyl)methanamine
PubChem CID63475707
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name(1-heptoxy-4-propan-2-ylcyclohexyl)methanamine
SMILESCCCCCCCOC1(CN)CCC(C(C)C)CC1
InChIInChI=1S/C17H35NO/c1-4-5-6-7-8-13-19-17(14-18)11-9-16(10-12-17)15(2)3/h15-16H,4-14,18H2,1-3H3
InChIKeySGQBFJLTXHEUDW-UHFFFAOYSA-N
XLogP4.52
TPSA35.25 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 ≤ 54.52
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-heptoxy-4-propan-2-ylcyclohexyl)methanamine?
The IUPAC name of (1-heptoxy-4-propan-2-ylcyclohexyl)methanamine (CID 63475707) is (1-heptoxy-4-propan-2-ylcyclohexyl)methanamine.
What is the SMILES notation for (1-heptoxy-4-propan-2-ylcyclohexyl)methanamine?
The canonical SMILES for (1-heptoxy-4-propan-2-ylcyclohexyl)methanamine is CCCCCCCOC1(CN)CCC(C(C)C)CC1.
What is the InChIKey of (1-heptoxy-4-propan-2-ylcyclohexyl)methanamine?
The InChIKey is SGQBFJLTXHEUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-4-5-6-7-8-13-19-17(14-18)11-9-16(10-12-17)15(2)3/h15-16H,4-14,18H2,1-3H3.
What are the key properties of (1-heptoxy-4-propan-2-ylcyclohexyl)methanamine?
(1-heptoxy-4-propan-2-ylcyclohexyl)methanamine has a molecular weight of 269.47 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-heptoxy-4-propan-2-ylcyclohexyl)methanamine is sourced from PubChem (CID 63475707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).