3-methyl-N-(oxolan-2-ylmethyl)butan-2-amine

C10H21NO — CID 43179200

IUPAC3-methyl-N-(oxolan-2-ylmethyl)butan-2-amine
SMILESCC(C)C(C)NCC1CCCO1
InChIInChI=1S/C10H21NO/c1-8(2)9(3)11-7-10-5-4-6-12-10/h8-11H,4-7H2,1-3H3
InChIKeyAOTSVCCQPBOLDE-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.80
Rot. Bonds4

About 3-methyl-N-(oxolan-2-ylmethyl)butan-2-amine

3-methyl-N-(oxolan-2-ylmethyl)butan-2-amine (PubChem CID 43179200) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-methyl-N-(oxolan-2-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name3-methyl-N-(oxolan-2-ylmethyl)butan-2-amine
PubChem CID43179200
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-methyl-N-(oxolan-2-ylmethyl)butan-2-amine
SMILESCC(C)C(C)NCC1CCCO1
InChIInChI=1S/C10H21NO/c1-8(2)9(3)11-7-10-5-4-6-12-10/h8-11H,4-7H2,1-3H3
InChIKeyAOTSVCCQPBOLDE-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-N-(oxolan-2-ylmethyl)butan-2-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-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride
CID 172772952
2-N-[[(2S)-oxolan-2-yl]methyl]-1-N-propan-2-ylpropane-1,2-diamine
CID 104856010
1-cyclopentyl-N-(oxolan-2-ylmethyl)ethanamine
CID 62633315
1,1-bis(oxolan-2-ylmethylamino)propan-2-ol
CID 90119922
methyl 2-methyl-3-(oxolan-2-ylmethylamino)butanoate
CID 79391941
(1R)-1-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 93283261
3-(oxolan-2-ylmethylamino)butan-1-ol
CID 83177846
(2R)-1-methoxy-N-[[(2S)-oxolan-2-yl]methyl]propan-2-amine
CID 28571154
methyl 3-methyl-2-(oxolan-2-ylmethylamino)butanoate
CID 43386449
N-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine
CID 166665828
4-cyclopentyl-N-(oxolan-2-ylmethyl)butan-2-amine
CID 115705992
1-(3,4-difluorophenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol
CID 82316272

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(oxolan-2-ylmethyl)butan-2-amine?
The IUPAC name of 3-methyl-N-(oxolan-2-ylmethyl)butan-2-amine (CID 43179200) is 3-methyl-N-(oxolan-2-ylmethyl)butan-2-amine.
What is the SMILES notation for 3-methyl-N-(oxolan-2-ylmethyl)butan-2-amine?
The canonical SMILES for 3-methyl-N-(oxolan-2-ylmethyl)butan-2-amine is CC(C)C(C)NCC1CCCO1.
What is the InChIKey of 3-methyl-N-(oxolan-2-ylmethyl)butan-2-amine?
The InChIKey is AOTSVCCQPBOLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)9(3)11-7-10-5-4-6-12-10/h8-11H,4-7H2,1-3H3.
What are the key properties of 3-methyl-N-(oxolan-2-ylmethyl)butan-2-amine?
3-methyl-N-(oxolan-2-ylmethyl)butan-2-amine has a molecular weight of 171.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(oxolan-2-ylmethyl)butan-2-amine is sourced from PubChem (CID 43179200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).