1-cyclohexyl-3-propoxy-N-propylpropan-2-amine

C15H31NO — CID 62605609

IUPAC1-cyclohexyl-3-propoxy-N-propylpropan-2-amine
SMILESCCCNC(COCCC)CC1CCCCC1
InChIInChI=1S/C15H31NO/c1-3-10-16-15(13-17-11-4-2)12-14-8-6-5-7-9-14/h14-16H,3-13H2,1-2H3
InChIKeyUPLFAMFXGWRICR-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.75
Rot. Bonds9

About 1-cyclohexyl-3-propoxy-N-propylpropan-2-amine

1-cyclohexyl-3-propoxy-N-propylpropan-2-amine (PubChem CID 62605609) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-cyclohexyl-3-propoxy-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-3-propoxy-N-propylpropan-2-amine
PubChem CID62605609
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1-cyclohexyl-3-propoxy-N-propylpropan-2-amine
SMILESCCCNC(COCCC)CC1CCCCC1
InChIInChI=1S/C15H31NO/c1-3-10-16-15(13-17-11-4-2)12-14-8-6-5-7-9-14/h14-16H,3-13H2,1-2H3
InChIKeyUPLFAMFXGWRICR-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.75
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

(1-cycloheptyl-3-propoxypropan-2-yl)hydrazine
CID 105321380
1-cyclohexyl-N-propylpentan-2-amine
CID 63413972
1-cyclobutyl-3-propan-2-yloxy-N-propylpropan-2-amine
CID 105151820
1-cyclopentyl-5-ethoxy-N-propylpentan-2-amine
CID 105139073
1-cycloheptyl-5-methyl-N-propylhexan-2-amine
CID 115834105
4-cyclohexyl-1-ethoxy-N-propylbutan-2-amine
CID 105008032
1-(3,3-difluorocyclohexyl)-N-ethyl-3-propoxypropan-2-amine
CID 114224804
1-cyclohexyl-4-methylsulfanyl-N-propylbutan-2-amine
CID 105135576
N-[1-cyclopentyl-2-(2-propoxyethoxy)ethyl]propan-1-amine
CID 104749456
1-cyclobutyl-4-cyclopentyl-N-propylbutan-2-amine
CID 115863549
N-(1-cyclobutyl-2-propoxyethyl)propan-1-amine
CID 79574757
4-ethoxy-1-propoxy-N-propylbutan-2-amine
CID 112688262

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-propoxy-N-propylpropan-2-amine?
The IUPAC name of 1-cyclohexyl-3-propoxy-N-propylpropan-2-amine (CID 62605609) is 1-cyclohexyl-3-propoxy-N-propylpropan-2-amine.
What is the SMILES notation for 1-cyclohexyl-3-propoxy-N-propylpropan-2-amine?
The canonical SMILES for 1-cyclohexyl-3-propoxy-N-propylpropan-2-amine is CCCNC(COCCC)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-propoxy-N-propylpropan-2-amine?
The InChIKey is UPLFAMFXGWRICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-3-10-16-15(13-17-11-4-2)12-14-8-6-5-7-9-14/h14-16H,3-13H2,1-2H3.
What are the key properties of 1-cyclohexyl-3-propoxy-N-propylpropan-2-amine?
1-cyclohexyl-3-propoxy-N-propylpropan-2-amine has a molecular weight of 241.42 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-propoxy-N-propylpropan-2-amine is sourced from PubChem (CID 62605609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).