1-(3-nonylcyclohexyl)oxypropan-2-amine

C18H37NO — CID 140837863

IUPAC1-(3-nonylcyclohexyl)oxypropan-2-amine
SMILESCCCCCCCCCC1CCCC(OCC(C)N)C1
InChIInChI=1S/C18H37NO/c1-3-4-5-6-7-8-9-11-17-12-10-13-18(14-17)20-15-16(2)19/h16-18H,3-15,19H2,1-2H3
InChIKeySDJAXRGEXULBPF-UHFFFAOYSA-N
MW283.50 g/mol
LogP5.05
Rot. Bonds11

About 1-(3-nonylcyclohexyl)oxypropan-2-amine

1-(3-nonylcyclohexyl)oxypropan-2-amine (PubChem CID 140837863) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 1-(3-nonylcyclohexyl)oxypropan-2-amine.

Molecular Properties

Compound Name1-(3-nonylcyclohexyl)oxypropan-2-amine
PubChem CID140837863
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name1-(3-nonylcyclohexyl)oxypropan-2-amine
SMILESCCCCCCCCCC1CCCC(OCC(C)N)C1
InChIInChI=1S/C18H37NO/c1-3-4-5-6-7-8-9-11-17-12-10-13-18(14-17)20-15-16(2)19/h16-18H,3-15,19H2,1-2H3
InChIKeySDJAXRGEXULBPF-UHFFFAOYSA-N
XLogP5.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.50
LogP ≤ 55.05
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-(3-nonylcyclohexyl)oxypropan-2-amine?
The IUPAC name of 1-(3-nonylcyclohexyl)oxypropan-2-amine (CID 140837863) is 1-(3-nonylcyclohexyl)oxypropan-2-amine.
What is the SMILES notation for 1-(3-nonylcyclohexyl)oxypropan-2-amine?
The canonical SMILES for 1-(3-nonylcyclohexyl)oxypropan-2-amine is CCCCCCCCCC1CCCC(OCC(C)N)C1.
What is the InChIKey of 1-(3-nonylcyclohexyl)oxypropan-2-amine?
The InChIKey is SDJAXRGEXULBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-3-4-5-6-7-8-9-11-17-12-10-13-18(14-17)20-15-16(2)19/h16-18H,3-15,19H2,1-2H3.
What are the key properties of 1-(3-nonylcyclohexyl)oxypropan-2-amine?
1-(3-nonylcyclohexyl)oxypropan-2-amine has a molecular weight of 283.50 g/mol, XLogP of 5.05, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nonylcyclohexyl)oxypropan-2-amine is sourced from PubChem (CID 140837863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).