(2S,3S)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)oxolan-3-amine

C13H27NO — CID 97358634

IUPAC(2S,3S)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)oxolan-3-amine
SMILESC[C@@H]1OCC[C@@H]1NC(C)(C)CC(C)(C)C
InChIInChI=1S/C13H27NO/c1-10-11(7-8-15-10)14-13(5,6)9-12(2,3)4/h10-11,14H,7-9H2,1-6H3/t10-,11-/m0/s1
InChIKeyPRNWYQJCYOCDLY-QWRGUYRKSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds3

About (2S,3S)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)oxolan-3-amine

(2S,3S)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)oxolan-3-amine (PubChem CID 97358634) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is (2S,3S)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)oxolan-3-amine.

Molecular Properties

Compound Name(2S,3S)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)oxolan-3-amine
PubChem CID97358634
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name(2S,3S)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)oxolan-3-amine
SMILESC[C@@H]1OCC[C@@H]1NC(C)(C)CC(C)(C)C
InChIInChI=1S/C13H27NO/c1-10-11(7-8-15-10)14-13(5,6)9-12(2,3)4/h10-11,14H,7-9H2,1-6H3/t10-,11-/m0/s1
InChIKeyPRNWYQJCYOCDLY-QWRGUYRKSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4,4-trimethylpentan-2-yl)oxetan-2-amine
CID 123451073
N-(3,3-dimethylbutyl)-2-methyloxolan-3-amine
CID 115336509
(2R,3R)-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-2-methyloxolan-3-amine
CID 97338287
3-methyl-3-[(2-methyloxolan-3-yl)amino]pentan-1-ol
CID 115921094
methyl 2-methyl-2-[(2-methyloxolan-3-yl)amino]propanoate
CID 82726709
4,4-dimethyl-1-[(2-methyloxolan-3-yl)amino]pentan-2-ol
CID 115751370
N-(2,4,4-trimethylpentan-2-yl)cycloheptanamine
CID 43434260
3,4-dimethyl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine
CID 64745213
2,2-dimethyl-N-(2-methyloxolan-3-yl)propanamide
CID 82736324
[(2S,3R)-2-methyloxolan-3-yl]hydrazine;hydrochloride
CID 131984947
(2R,3S)-N-(cyclopropylmethyl)-2-methyloxolan-3-amine
CID 97358188
(2S,3R)-2-methyl-N-(2-methylpropyl)oxolan-3-amine
CID 97358057

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)oxolan-3-amine?
The IUPAC name of (2S,3S)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)oxolan-3-amine (CID 97358634) is (2S,3S)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)oxolan-3-amine.
What is the SMILES notation for (2S,3S)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)oxolan-3-amine?
The canonical SMILES for (2S,3S)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)oxolan-3-amine is C[C@@H]1OCC[C@@H]1NC(C)(C)CC(C)(C)C.
What is the InChIKey of (2S,3S)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)oxolan-3-amine?
The InChIKey is PRNWYQJCYOCDLY-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H27NO/c1-10-11(7-8-15-10)14-13(5,6)9-12(2,3)4/h10-11,14H,7-9H2,1-6H3/t10-,11-/m0/s1.
What are the key properties of (2S,3S)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)oxolan-3-amine?
(2S,3S)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)oxolan-3-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)oxolan-3-amine is sourced from PubChem (CID 97358634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).