6-(2-cyclobutylethoxy)-N-propylhexan-3-amine

C15H31NO — CID 106201058

IUPAC6-(2-cyclobutylethoxy)-N-propylhexan-3-amine
SMILESCCCNC(CC)CCCOCCC1CCC1
InChIInChI=1S/C15H31NO/c1-3-11-16-15(4-2)9-6-12-17-13-10-14-7-5-8-14/h14-16H,3-13H2,1-2H3
InChIKeyPJEXHGWSXTZHKB-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.75
Rot. Bonds11

About 6-(2-cyclobutylethoxy)-N-propylhexan-3-amine

6-(2-cyclobutylethoxy)-N-propylhexan-3-amine (PubChem CID 106201058) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 6-(2-cyclobutylethoxy)-N-propylhexan-3-amine.

Molecular Properties

Compound Name6-(2-cyclobutylethoxy)-N-propylhexan-3-amine
PubChem CID106201058
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name6-(2-cyclobutylethoxy)-N-propylhexan-3-amine
SMILESCCCNC(CC)CCCOCCC1CCC1
InChIInChI=1S/C15H31NO/c1-3-11-16-15(4-2)9-6-12-17-13-10-14-7-5-8-14/h14-16H,3-13H2,1-2H3
InChIKeyPJEXHGWSXTZHKB-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
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

Methyl(1-(oxan-4-yl)ethyl)amine
CID 57526871
N-[(oxan-4-yl)methyl]cyclobutanamine hydrochloride
CID 137919902
N-[(oxan-4-yl)methyl]cyclobutanamine
CID 62416115
N-ethyl-4-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 63560784
4-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 63561566
N-(oxan-4-ylmethyl)propan-2-amine
CID 21034342
cis-3-(Methoxymethyl)-N-methylcyclobutanamine
CID 53302282
N-ethyl-6-methoxyhexan-3-amine
CID 60995140
(Butan-2-yl)[(oxan-4-yl)methyl]amine
CID 61269935
3-(2-ethylhexoxy)-N-propan-2-ylpropan-1-amine
CID 61684722
4-hexoxy-N-(2-methylpropyl)butan-1-amine
CID 62455139
N-methyl-1-(oxolan-3-yl)propan-1-amine
CID 63563986

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclobutylethoxy)-N-propylhexan-3-amine?
The IUPAC name of 6-(2-cyclobutylethoxy)-N-propylhexan-3-amine (CID 106201058) is 6-(2-cyclobutylethoxy)-N-propylhexan-3-amine.
What is the SMILES notation for 6-(2-cyclobutylethoxy)-N-propylhexan-3-amine?
The canonical SMILES for 6-(2-cyclobutylethoxy)-N-propylhexan-3-amine is CCCNC(CC)CCCOCCC1CCC1.
What is the InChIKey of 6-(2-cyclobutylethoxy)-N-propylhexan-3-amine?
The InChIKey is PJEXHGWSXTZHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-3-11-16-15(4-2)9-6-12-17-13-10-14-7-5-8-14/h14-16H,3-13H2,1-2H3.
What are the key properties of 6-(2-cyclobutylethoxy)-N-propylhexan-3-amine?
6-(2-cyclobutylethoxy)-N-propylhexan-3-amine has a molecular weight of 241.42 g/mol, XLogP of 3.75, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclobutylethoxy)-N-propylhexan-3-amine is sourced from PubChem (CID 106201058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).