3-cyclohexyloxy-N-methyl-N-propylpropan-1-amine

C13H27NO — CID 167156587

IUPAC3-cyclohexyloxy-N-methyl-N-propylpropan-1-amine
SMILESCCCN(C)CCCOC1CCCCC1
InChIInChI=1S/C13H27NO/c1-3-10-14(2)11-7-12-15-13-8-5-4-6-9-13/h13H,3-12H2,1-2H3
InChIKeyZWBQRDSDPDXWTR-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.07
Rot. Bonds7

About 3-cyclohexyloxy-N-methyl-N-propylpropan-1-amine

3-cyclohexyloxy-N-methyl-N-propylpropan-1-amine (PubChem CID 167156587) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-cyclohexyloxy-N-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-cyclohexyloxy-N-methyl-N-propylpropan-1-amine
PubChem CID167156587
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-cyclohexyloxy-N-methyl-N-propylpropan-1-amine
SMILESCCCN(C)CCCOC1CCCCC1
InChIInChI=1S/C13H27NO/c1-3-10-14(2)11-7-12-15-13-8-5-4-6-9-13/h13H,3-12H2,1-2H3
InChIKeyZWBQRDSDPDXWTR-UHFFFAOYSA-N
XLogP3.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl-[4-[4-[methyl(propyl)amino]butoxy]cyclohexyl]carbamic acid
CID 20760582
pentadecoxycyclopentane
CID 155570194
octoxycyclopentane
CID 14691467
propoxycyclooctane
CID 54078990
8-cycloheptyloxyoctoxycycloheptane
CID 173292672
butoxycyclobutane
CID 54057236
3-hexoxy-N-methyl-N-propylpropan-1-amine
CID 155459820
10-butoxycyclooctadecan-1-ol
CID 91298202
N-methyl-4-[6-[methyl(pentyl)amino]hexoxy]cyclohexan-1-amine
CID 70021761
2-cyclopentyloxy-N,N-dimethylethanamine
CID 142656921
butoxycyclopentane;ethane-1,2-diol
CID 174670164
cyclohexane;octan-1-ol;octoxycyclohexane
CID 157453756

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyloxy-N-methyl-N-propylpropan-1-amine?
The IUPAC name of 3-cyclohexyloxy-N-methyl-N-propylpropan-1-amine (CID 167156587) is 3-cyclohexyloxy-N-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-cyclohexyloxy-N-methyl-N-propylpropan-1-amine?
The canonical SMILES for 3-cyclohexyloxy-N-methyl-N-propylpropan-1-amine is CCCN(C)CCCOC1CCCCC1.
What is the InChIKey of 3-cyclohexyloxy-N-methyl-N-propylpropan-1-amine?
The InChIKey is ZWBQRDSDPDXWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-10-14(2)11-7-12-15-13-8-5-4-6-9-13/h13H,3-12H2,1-2H3.
What are the key properties of 3-cyclohexyloxy-N-methyl-N-propylpropan-1-amine?
3-cyclohexyloxy-N-methyl-N-propylpropan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxy-N-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 167156587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).