[(2S,4R)-2-methyloxan-4-yl]methanamine

C7H15NO — CID 95335813

IUPAC[(2S,4R)-2-methyloxan-4-yl]methanamine
SMILESC[C@H]1C[C@H](CN)CCO1
InChIInChI=1S/C7H15NO/c1-6-4-7(5-8)2-3-9-6/h6-7H,2-5,8H2,1H3/t6-,7+/m0/s1
InChIKeyKNCAVDCDYJAUJB-NKWVEPMBSA-N
MW129.20 g/mol
LogP0.76
Rot. Bonds1

About [(2S,4R)-2-methyloxan-4-yl]methanamine

[(2S,4R)-2-methyloxan-4-yl]methanamine (PubChem CID 95335813) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is [(2S,4R)-2-methyloxan-4-yl]methanamine.

Molecular Properties

Compound Name[(2S,4R)-2-methyloxan-4-yl]methanamine
PubChem CID95335813
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name[(2S,4R)-2-methyloxan-4-yl]methanamine
SMILESC[C@H]1C[C@H](CN)CCO1
InChIInChI=1S/C7H15NO/c1-6-4-7(5-8)2-3-9-6/h6-7H,2-5,8H2,1H3/t6-,7+/m0/s1
InChIKeyKNCAVDCDYJAUJB-NKWVEPMBSA-N
XLogP0.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-[(2-methyloxan-4-yl)methyl]cyclopropan-1-amine
CID 126991122
N-[(2-methyloxan-4-yl)methyl]acetamide
CID 127727731
(4R)-2,4-dimethyloxane
CID 129313541
dimethyl-[2-(2-methyloxan-4-yl)ethyl]-propan-2-yl-λ4-sulfane
CID 138626301
2,4-dimethyloxane;ethane
CID 143101228
(2-methyloxan-4-yl)methyl 2-(aminomethyl)-2,4,4-trimethylpentanoate
CID 166926178
[4-[(2-methyloxan-4-yl)methoxycarbonyloxymethyl]cyclohexyl]methyl (6-methyloxan-3-yl)methyl carbonate
CID 143933568
2-methyloxetane;propan-2-amine
CID 18626824
(2-methyloxan-4-yl)phosphane
CID 156867096
acetylene;2,4-dimethyloxane
CID 142252938
3-[2-[2-(2-methyloxan-4-yl)ethoxy]ethyl]-7-oxabicyclo[4.1.0]heptane
CID 129170875
3-[(2-methyloxan-4-yl)methoxymethoxymethyl]-7-oxabicyclo[4.1.0]heptane
CID 145238126

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-2-methyloxan-4-yl]methanamine?
The IUPAC name of [(2S,4R)-2-methyloxan-4-yl]methanamine (CID 95335813) is [(2S,4R)-2-methyloxan-4-yl]methanamine.
What is the SMILES notation for [(2S,4R)-2-methyloxan-4-yl]methanamine?
The canonical SMILES for [(2S,4R)-2-methyloxan-4-yl]methanamine is C[C@H]1C[C@H](CN)CCO1.
What is the InChIKey of [(2S,4R)-2-methyloxan-4-yl]methanamine?
The InChIKey is KNCAVDCDYJAUJB-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H15NO/c1-6-4-7(5-8)2-3-9-6/h6-7H,2-5,8H2,1H3/t6-,7+/m0/s1.
What are the key properties of [(2S,4R)-2-methyloxan-4-yl]methanamine?
[(2S,4R)-2-methyloxan-4-yl]methanamine has a molecular weight of 129.20 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-2-methyloxan-4-yl]methanamine is sourced from PubChem (CID 95335813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).