3,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]butan-2-amine

C12H25NO — CID 115708972

IUPAC3,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]butan-2-amine
SMILESCC(NCCC1CCCO1)C(C)(C)C
InChIInChI=1S/C12H25NO/c1-10(12(2,3)4)13-8-7-11-6-5-9-14-11/h10-11,13H,5-9H2,1-4H3
InChIKeyPZCSMJOUFYRLKX-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds4

About 3,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]butan-2-amine

3,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]butan-2-amine (PubChem CID 115708972) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]butan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]butan-2-amine
PubChem CID115708972
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]butan-2-amine
SMILESCC(NCCC1CCCO1)C(C)(C)C
InChIInChI=1S/C12H25NO/c1-10(12(2,3)4)13-8-7-11-6-5-9-14-11/h10-11,13H,5-9H2,1-4H3
InChIKeyPZCSMJOUFYRLKX-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-N-[2-(oxolan-2-yl)ethyl]propan-2-amine
CID 107859707
(1S)-1-cyclohexyl-N-[2-[(2S)-oxolan-2-yl]ethyl]ethanamine
CID 93468404
6-methyl-N-[2-(oxolan-2-yl)ethyl]heptan-2-amine
CID 65163408
N-(2-methylbutan-2-yl)-2-[2-(oxolan-2-yl)ethylamino]propanamide
CID 54916932
N-methyl-2-[2-(oxolan-2-yl)ethylamino]propanamide
CID 61038745
5-(oxolan-2-yl)-N-propan-2-ylpentan-1-amine
CID 65166491
1-chloro-N-[2-(oxolan-2-yl)ethyl]butan-2-amine
CID 65165393
N-[2-(oxolan-2-yl)ethyl]-4-propan-2-ylaniline
CID 63182100
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 65163698
1-N,1-N,4-trimethyl-2-N-[2-(oxolan-2-yl)ethyl]pentane-1,2-diamine
CID 65164114
tert-butyl N-[(2R,4R)-4-[2-[(2R)-oxolan-2-yl]ethylamino]pentan-2-yl]carbamate
CID 124856782
N-[2-(oxolan-2-yl)ethyl]undecan-6-amine
CID 63452863

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]butan-2-amine?
The IUPAC name of 3,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]butan-2-amine (CID 115708972) is 3,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]butan-2-amine.
What is the SMILES notation for 3,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]butan-2-amine?
The canonical SMILES for 3,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]butan-2-amine is CC(NCCC1CCCO1)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]butan-2-amine?
The InChIKey is PZCSMJOUFYRLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(12(2,3)4)13-8-7-11-6-5-9-14-11/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 3,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]butan-2-amine?
3,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]butan-2-amine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]butan-2-amine is sourced from PubChem (CID 115708972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).