3-butoxy-3-methylpentan-1-amine

C10H23NO — CID 88915942

IUPAC3-butoxy-3-methylpentan-1-amine
SMILESCCCCOC(C)(CC)CCN
InChIInChI=1S/C10H23NO/c1-4-6-9-12-10(3,5-2)7-8-11/h4-9,11H2,1-3H3
InChIKeyICCNDIGAFQWRGQ-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.32
Rot. Bonds7

About 3-butoxy-3-methylpentan-1-amine

3-butoxy-3-methylpentan-1-amine (PubChem CID 88915942) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 3-butoxy-3-methylpentan-1-amine.

Molecular Properties

Compound Name3-butoxy-3-methylpentan-1-amine
PubChem CID88915942
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name3-butoxy-3-methylpentan-1-amine
SMILESCCCCOC(C)(CC)CCN
InChIInChI=1S/C10H23NO/c1-4-6-9-12-10(3,5-2)7-8-11/h4-9,11H2,1-3H3
InChIKeyICCNDIGAFQWRGQ-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.32
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

3-(2-Ethylbutoxy)propan-1-amine
CID 296355
3-Ethoxy-4-methylpentan-1-amine
CID 56828152
2-(1-((Tert-butoxy)methyl)cyclopropyl)ethan-1-amine
CID 65497519
2-(1-Ethoxycyclobutyl)ethan-1-amine hydrochloride
CID 165880133
6-(Tert-butoxy)hexan-1-amine
CID 20230572
3-(3-Fluorobutoxy)-3-methylbutan-1-amine
CID 138717479
4-Ethyl-3-methoxyhexan-1-amine
CID 71756834
3-Ethoxy-5,5,5-trifluoro-3-methylpentan-1-amine
CID 105452013
5-[(2-Methylpropan-2-yl)oxy]pentan-1-amine;hydrochloride
CID 170917368
3-Butoxypentan-1-amine
CID 19432126
4-[(2-Methylpropan-2-yl)oxy]pentan-1-amine
CID 20230564
3-[(2-Methylbutan-2-yl)oxy]propan-1-amine
CID 28996276

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-3-methylpentan-1-amine?
The IUPAC name of 3-butoxy-3-methylpentan-1-amine (CID 88915942) is 3-butoxy-3-methylpentan-1-amine.
What is the SMILES notation for 3-butoxy-3-methylpentan-1-amine?
The canonical SMILES for 3-butoxy-3-methylpentan-1-amine is CCCCOC(C)(CC)CCN.
What is the InChIKey of 3-butoxy-3-methylpentan-1-amine?
The InChIKey is ICCNDIGAFQWRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-4-6-9-12-10(3,5-2)7-8-11/h4-9,11H2,1-3H3.
What are the key properties of 3-butoxy-3-methylpentan-1-amine?
3-butoxy-3-methylpentan-1-amine has a molecular weight of 173.30 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-3-methylpentan-1-amine is sourced from PubChem (CID 88915942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).