1-cyclohexyloxy-N-propylbutan-1-amine

C13H27NO — CID 70405680

IUPAC1-cyclohexyloxy-N-propylbutan-1-amine
SMILESCCCNC(CCC)OC1CCCCC1
InChIInChI=1S/C13H27NO/c1-3-8-13(14-11-4-2)15-12-9-6-5-7-10-12/h12-14H,3-11H2,1-2H3
InChIKeyNVSKLONPAJUPLC-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.46
Rot. Bonds7

About 1-cyclohexyloxy-N-propylbutan-1-amine

1-cyclohexyloxy-N-propylbutan-1-amine (PubChem CID 70405680) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-cyclohexyloxy-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-cyclohexyloxy-N-propylbutan-1-amine
PubChem CID70405680
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-cyclohexyloxy-N-propylbutan-1-amine
SMILESCCCNC(CCC)OC1CCCCC1
InChIInChI=1S/C13H27NO/c1-3-8-13(14-11-4-2)15-12-9-6-5-7-10-12/h12-14H,3-11H2,1-2H3
InChIKeyNVSKLONPAJUPLC-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-N-propylbutan-1-amine?
The IUPAC name of 1-cyclohexyloxy-N-propylbutan-1-amine (CID 70405680) is 1-cyclohexyloxy-N-propylbutan-1-amine.
What is the SMILES notation for 1-cyclohexyloxy-N-propylbutan-1-amine?
The canonical SMILES for 1-cyclohexyloxy-N-propylbutan-1-amine is CCCNC(CCC)OC1CCCCC1.
What is the InChIKey of 1-cyclohexyloxy-N-propylbutan-1-amine?
The InChIKey is NVSKLONPAJUPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-8-13(14-11-4-2)15-12-9-6-5-7-10-12/h12-14H,3-11H2,1-2H3.
What are the key properties of 1-cyclohexyloxy-N-propylbutan-1-amine?
1-cyclohexyloxy-N-propylbutan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-N-propylbutan-1-amine is sourced from PubChem (CID 70405680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).