3-butyl-2-methyloxolan-3-amine

C9H19NO — CID 114535354

IUPAC3-butyl-2-methyloxolan-3-amine
SMILESCCCCC1(N)CCOC1C
InChIInChI=1S/C9H19NO/c1-3-4-5-9(10)6-7-11-8(9)2/h8H,3-7,10H2,1-2H3
InChIKeyIVABEYCRAQSSHN-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.68
Rot. Bonds3

About 3-butyl-2-methyloxolan-3-amine

3-butyl-2-methyloxolan-3-amine (PubChem CID 114535354) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-butyl-2-methyloxolan-3-amine.

Molecular Properties

Compound Name3-butyl-2-methyloxolan-3-amine
PubChem CID114535354
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-butyl-2-methyloxolan-3-amine
SMILESCCCCC1(N)CCOC1C
InChIInChI=1S/C9H19NO/c1-3-4-5-9(10)6-7-11-8(9)2/h8H,3-7,10H2,1-2H3
InChIKeyIVABEYCRAQSSHN-UHFFFAOYSA-N
XLogP1.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methoxypropyl)-2-methyloxolan-3-amine
CID 114535363
2-methyl-3-(2-propylsulfonylethyl)oxolan-3-amine
CID 106733927
3-(3,3-dimethylbutyl)-2-methyloxolan-3-amine
CID 114535392
3-(methoxymethyl)-2-methyloxolan-3-amine
CID 114535350
2-cyclopropyl-3-heptyloxolan-3-amine
CID 104510276
2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine
CID 114535331
2-methyl-3-pentyloxolan-3-ol
CID 82718337
3-heptyl-2-methyloxolan-3-ol
CID 82718796
(3-hexyl-2-methyloxolan-3-yl)methanol
CID 114535546
3-[(5-ethylthiophen-2-yl)methyl]-2-methyloxolan-3-amine
CID 114535492
2-cyclopropyl-3-propyloxolan-3-amine
CID 104510271
N-[(3-butyl-2-methyloxolan-3-yl)methyl]-2-methoxyethanamine
CID 114535216

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-methyloxolan-3-amine?
The IUPAC name of 3-butyl-2-methyloxolan-3-amine (CID 114535354) is 3-butyl-2-methyloxolan-3-amine.
What is the SMILES notation for 3-butyl-2-methyloxolan-3-amine?
The canonical SMILES for 3-butyl-2-methyloxolan-3-amine is CCCCC1(N)CCOC1C.
What is the InChIKey of 3-butyl-2-methyloxolan-3-amine?
The InChIKey is IVABEYCRAQSSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-4-5-9(10)6-7-11-8(9)2/h8H,3-7,10H2,1-2H3.
What are the key properties of 3-butyl-2-methyloxolan-3-amine?
3-butyl-2-methyloxolan-3-amine has a molecular weight of 157.26 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-methyloxolan-3-amine is sourced from PubChem (CID 114535354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).