1-butoxy-3-ethylheptan-3-amine

C13H29NO — CID 65019696

IUPAC1-butoxy-3-ethylheptan-3-amine
SMILESCCCCOCCC(N)(CC)CCCC
InChIInChI=1S/C13H29NO/c1-4-7-9-13(14,6-3)10-12-15-11-8-5-2/h4-12,14H2,1-3H3
InChIKeyPPIGWCKTISBULK-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.49
Rot. Bonds10

About 1-butoxy-3-ethylheptan-3-amine

1-butoxy-3-ethylheptan-3-amine (PubChem CID 65019696) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 1-butoxy-3-ethylheptan-3-amine.

Molecular Properties

Compound Name1-butoxy-3-ethylheptan-3-amine
PubChem CID65019696
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name1-butoxy-3-ethylheptan-3-amine
SMILESCCCCOCCC(N)(CC)CCCC
InChIInChI=1S/C13H29NO/c1-4-7-9-13(14,6-3)10-12-15-11-8-5-2/h4-12,14H2,1-3H3
InChIKeyPPIGWCKTISBULK-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.49
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

5-ethylnonan-5-amine;hydrochloride
CID 174766496
3-ethylheptan-3-amine
CID 12708037
3-ethyl-1-(3-methoxypropoxy)pentan-3-amine
CID 103184740
6-ethylundecan-6-amine
CID 173250227
3-ethyl-6-(2-methoxyethoxy)hexan-3-amine
CID 103414969
2-[3-amino-3-[2-(2-hydroxyethoxy)ethyl]icosoxy]ethanol
CID 57295459
3-ethyl-1-phenoxyheptan-3-amine
CID 65020146
3-butoxy-1,1-difluoropropan-1-ol
CID 164768112
5-ethyl-2-methoxy-2-methylnonan-5-amine
CID 103017124
3-ethyloctan-3-amine
CID 19350108
1-butoxy-5,5-dimethylhexane
CID 134574772
1,6-bis(2-butoxyethoxy)-3,4-bis[2-(2-butoxyethoxy)ethyl]hexane-3,4-diol
CID 157473133

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-ethylheptan-3-amine?
The IUPAC name of 1-butoxy-3-ethylheptan-3-amine (CID 65019696) is 1-butoxy-3-ethylheptan-3-amine.
What is the SMILES notation for 1-butoxy-3-ethylheptan-3-amine?
The canonical SMILES for 1-butoxy-3-ethylheptan-3-amine is CCCCOCCC(N)(CC)CCCC.
What is the InChIKey of 1-butoxy-3-ethylheptan-3-amine?
The InChIKey is PPIGWCKTISBULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-4-7-9-13(14,6-3)10-12-15-11-8-5-2/h4-12,14H2,1-3H3.
What are the key properties of 1-butoxy-3-ethylheptan-3-amine?
1-butoxy-3-ethylheptan-3-amine has a molecular weight of 215.38 g/mol, XLogP of 3.49, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-ethylheptan-3-amine is sourced from PubChem (CID 65019696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).