2,2-dimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine

C9H19NO — CID 94565548

IUPAC2,2-dimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine
SMILESCC(C)(CN)C[C@@H]1CCCO1
InChIInChI=1S/C9H19NO/c1-9(2,7-10)6-8-4-3-5-11-8/h8H,3-7,10H2,1-2H3/t8-/m0/s1
InChIKeyLBMOSOQVYIAPID-QMMMGPOBSA-N
MW157.26 g/mol
LogP1.54
Rot. Bonds3

About 2,2-dimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine

2,2-dimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine (PubChem CID 94565548) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine
PubChem CID94565548
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2,2-dimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine
SMILESCC(C)(CN)C[C@@H]1CCCO1
InChIInChI=1S/C9H19NO/c1-9(2,7-10)6-8-4-3-5-11-8/h8H,3-7,10H2,1-2H3/t8-/m0/s1
InChIKeyLBMOSOQVYIAPID-QMMMGPOBSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-(oxolan-2-yl)propan-1-amine;hydrochloride
CID 122240151
2-(3-chloro-2,2-dimethylpropyl)oxolane
CID 66059944
(2S)-2-(2,2-dimethylpropyl)oxolane
CID 58780523
(2R)-2-(2,2-dimethylpropyl)oxolane
CID 58780469
2-ethyl-2-(oxolan-2-ylmethyl)butan-1-amine
CID 62724509
2-(2,2-dimethylpropyl)oxolane;ethane
CID 155737583
2-(2,2-dimethylbutyl)-oxacyclononadecane
CID 173129574
2-cyclopropyl-1-(oxolan-2-yl)propan-2-amine
CID 82237698
(2R)-2-[3-[3-(2,2-dimethylpropyl)cyclopentyl]-2,2-dimethylpropyl]oxolane
CID 130439180
N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine
CID 65246933
N',2,2-trimethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine
CID 79652271
[(2R)-oxolan-2-yl]methanamine
CID 2734124

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine (CID 94565548) is 2,2-dimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine is CC(C)(CN)C[C@@H]1CCCO1.
What is the InChIKey of 2,2-dimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine?
The InChIKey is LBMOSOQVYIAPID-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19NO/c1-9(2,7-10)6-8-4-3-5-11-8/h8H,3-7,10H2,1-2H3/t8-/m0/s1.
What are the key properties of 2,2-dimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine?
2,2-dimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine is sourced from PubChem (CID 94565548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).