3,3-dimethyl-N-[(5-methyloxolan-2-yl)methyl]-1-phenylbutan-1-amine

C18H29NO — CID 82836542

IUPAC3,3-dimethyl-N-[(5-methyloxolan-2-yl)methyl]-1-phenylbutan-1-amine
SMILESCC1CCC(CNC(CC(C)(C)C)c2ccccc2)O1
InChIInChI=1S/C18H29NO/c1-14-10-11-16(20-14)13-19-17(12-18(2,3)4)15-8-6-5-7-9-15/h5-9,14,16-17,19H,10-13H2,1-4H3
InChIKeyBTQVAWYFFHSJGO-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.32
Rot. Bonds5

About 3,3-dimethyl-N-[(5-methyloxolan-2-yl)methyl]-1-phenylbutan-1-amine

3,3-dimethyl-N-[(5-methyloxolan-2-yl)methyl]-1-phenylbutan-1-amine (PubChem CID 82836542) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(5-methyloxolan-2-yl)methyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[(5-methyloxolan-2-yl)methyl]-1-phenylbutan-1-amine
PubChem CID82836542
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name3,3-dimethyl-N-[(5-methyloxolan-2-yl)methyl]-1-phenylbutan-1-amine
SMILESCC1CCC(CNC(CC(C)(C)C)c2ccccc2)O1
InChIInChI=1S/C18H29NO/c1-14-10-11-16(20-14)13-19-17(12-18(2,3)4)15-8-6-5-7-9-15/h5-9,14,16-17,19H,10-13H2,1-4H3
InChIKeyBTQVAWYFFHSJGO-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3-dimethyl-N-[(5-methyloxolan-2-yl)methyl]-1-phenylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-methyloxolan-2-yl)methyl]-1-phenylbutan-1-amine
CID 82833707
4-[[(3,3-dimethyl-1-phenylbutyl)amino]methyl]cyclohexan-1-ol
CID 106125736
N-(cyclohex-3-en-1-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine
CID 43740417
1-(4-tert-butylphenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82834989
(1S)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3,3-dimethyl-1-phenylbutan-1-amine
CID 93462942
2-methyl-N-[(5-methyloxolan-2-yl)methyl]-2-phenylpropan-1-amine
CID 82836262
N-(3,3-dimethyl-1-phenylbutyl)-3,4-dimethylcyclohexan-1-amine
CID 64746392
N-(1-cyclopropylethyl)-3,3-dimethyl-1-phenylbutan-1-amine
CID 43740482
N-(3,3-dimethyl-1-phenylbutyl)-2,6-dimethylcyclohexan-1-amine
CID 43740445
[1-[[(3,3-dimethyl-1-phenylbutyl)amino]methyl]cyclopropyl]methanol
CID 115454441
1-(2-chlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82835073
N-(3,3-dimethyl-1-phenylbutyl)-2-methylcyclopentan-1-amine
CID 63462773

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(5-methyloxolan-2-yl)methyl]-1-phenylbutan-1-amine?
The IUPAC name of 3,3-dimethyl-N-[(5-methyloxolan-2-yl)methyl]-1-phenylbutan-1-amine (CID 82836542) is 3,3-dimethyl-N-[(5-methyloxolan-2-yl)methyl]-1-phenylbutan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-[(5-methyloxolan-2-yl)methyl]-1-phenylbutan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-[(5-methyloxolan-2-yl)methyl]-1-phenylbutan-1-amine is CC1CCC(CNC(CC(C)(C)C)c2ccccc2)O1.
What is the InChIKey of 3,3-dimethyl-N-[(5-methyloxolan-2-yl)methyl]-1-phenylbutan-1-amine?
The InChIKey is BTQVAWYFFHSJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14-10-11-16(20-14)13-19-17(12-18(2,3)4)15-8-6-5-7-9-15/h5-9,14,16-17,19H,10-13H2,1-4H3.
What are the key properties of 3,3-dimethyl-N-[(5-methyloxolan-2-yl)methyl]-1-phenylbutan-1-amine?
3,3-dimethyl-N-[(5-methyloxolan-2-yl)methyl]-1-phenylbutan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(5-methyloxolan-2-yl)methyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 82836542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).