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

C10H21NO — CID 89411151

IUPAC2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]propan-1-amine
SMILESCC(C)(C)CNC[C@@H]1CCCO1
InChIInChI=1S/C10H21NO/c1-10(2,3)8-11-7-9-5-4-6-12-9/h9,11H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyGERVARJZFCPUKW-VIFPVBQESA-N
MW171.28 g/mol
LogP1.80
Rot. Bonds3

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

2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]propan-1-amine (PubChem CID 89411151) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]propan-1-amine
PubChem CID89411151
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]propan-1-amine
SMILESCC(C)(C)CNC[C@@H]1CCCO1
InChIInChI=1S/C10H21NO/c1-10(2,3)8-11-7-9-5-4-6-12-9/h9,11H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyGERVARJZFCPUKW-VIFPVBQESA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

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Related Compounds

N,2,2-trimethyl-3-(oxolan-2-ylmethylamino)propanamide
CID 106275769
N'-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104855994
N-(oxiran-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 126662658
2-ethyl-1-N-(oxan-2-ylmethyl)butane-1,2-diamine
CID 79814490
N'-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]propane-1,3-diamine
CID 104856051
1-cyclopropyl-N-(oxolan-2-ylmethyl)methanamine
CID 3607647
(2S)-2-(2,2-dimethylpropyl)oxolane
CID 58780523
(2R)-2-(2,2-dimethylpropyl)oxolane
CID 58780469
2-(2,2-dimethylpropyl)oxolane;ethane
CID 155737583
ethane;N-methyl-1-(oxolan-2-yl)methanamine
CID 91079378
1-(oxan-2-ylmethylamino)-2-phenylpropan-2-ol
CID 55068618
N-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 81330041

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]propan-1-amine (CID 89411151) is 2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]propan-1-amine is CC(C)(C)CNC[C@@H]1CCCO1.
What is the InChIKey of 2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]propan-1-amine?
The InChIKey is GERVARJZFCPUKW-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21NO/c1-10(2,3)8-11-7-9-5-4-6-12-9/h9,11H,4-8H2,1-3H3/t9-/m0/s1.
What are the key properties of 2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]propan-1-amine?
2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]propan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 89411151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).