3-butoxy-3-methylbutan-1-amine

C9H21NO — CID 87748688

IUPAC3-butoxy-3-methylbutan-1-amine
SMILESCCCCOC(C)(C)CCN
InChIInChI=1S/C9H21NO/c1-4-5-8-11-9(2,3)6-7-10/h4-8,10H2,1-3H3
InChIKeyUZBYRKMHNICPRJ-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.93
Rot. Bonds6

About 3-butoxy-3-methylbutan-1-amine

3-butoxy-3-methylbutan-1-amine (PubChem CID 87748688) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 3-butoxy-3-methylbutan-1-amine.

Molecular Properties

Compound Name3-butoxy-3-methylbutan-1-amine
PubChem CID87748688
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name3-butoxy-3-methylbutan-1-amine
SMILESCCCCOC(C)(C)CCN
InChIInChI=1S/C9H21NO/c1-4-5-8-11-9(2,3)6-7-10/h4-8,10H2,1-3H3
InChIKeyUZBYRKMHNICPRJ-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.93
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-(Tert-butoxy)propan-1-amine
CID 16218572
3-(3-Methylbutoxy)propan-1-amine
CID 21414195
(3-Methoxy-3-methylbutyl)amine
CID 22273167
3-Methoxy-3-methylbutan-1-amine hydrochloride
CID 89813937
4-(Tert-butoxy)butan-1-amine hydrochloride
CID 138987565
3-(3-Methoxy-3-methylbutoxy)propan-1-amine
CID 103034470
4-(Tert-butoxy)butan-1-amine
CID 18672802
3-(3-Fluorobutoxy)-3-methylbutan-1-amine
CID 138717479
3-(3-Butoxypropoxy)-2-fluoro-3-methylbutan-1-amine
CID 170082907
2-Fluoro-3-methyl-3-propoxybutan-1-amine
CID 170082931
N-(3-butoxypropyl)-3-methoxy-3-methylbutan-1-amine
CID 103033604
3-(Tert-butoxy)-2,2-dimethylpropan-1-amine
CID 79628560

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-3-methylbutan-1-amine?
The IUPAC name of 3-butoxy-3-methylbutan-1-amine (CID 87748688) is 3-butoxy-3-methylbutan-1-amine.
What is the SMILES notation for 3-butoxy-3-methylbutan-1-amine?
The canonical SMILES for 3-butoxy-3-methylbutan-1-amine is CCCCOC(C)(C)CCN.
What is the InChIKey of 3-butoxy-3-methylbutan-1-amine?
The InChIKey is UZBYRKMHNICPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-4-5-8-11-9(2,3)6-7-10/h4-8,10H2,1-3H3.
What are the key properties of 3-butoxy-3-methylbutan-1-amine?
3-butoxy-3-methylbutan-1-amine has a molecular weight of 159.27 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-3-methylbutan-1-amine is sourced from PubChem (CID 87748688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).