2-methyl-1-(oxan-4-yl)propane-1,2-diamine

C9H20N2O — CID 116932713

IUPAC2-methyl-1-(oxan-4-yl)propane-1,2-diamine
SMILESCC(C)(N)C(N)C1CCOCC1
InChIInChI=1S/C9H20N2O/c1-9(2,11)8(10)7-3-5-12-6-4-7/h7-8H,3-6,10-11H2,1-2H3
InChIKeyCGZMVTHAZFBMTI-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.48
Rot. Bonds2

About 2-methyl-1-(oxan-4-yl)propane-1,2-diamine

2-methyl-1-(oxan-4-yl)propane-1,2-diamine (PubChem CID 116932713) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-methyl-1-(oxan-4-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-1-(oxan-4-yl)propane-1,2-diamine
PubChem CID116932713
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-methyl-1-(oxan-4-yl)propane-1,2-diamine
SMILESCC(C)(N)C(N)C1CCOCC1
InChIInChI=1S/C9H20N2O/c1-9(2,11)8(10)7-3-5-12-6-4-7/h7-8H,3-6,10-11H2,1-2H3
InChIKeyCGZMVTHAZFBMTI-UHFFFAOYSA-N
XLogP0.48
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Oxan-4-yl)propan-2-amine hydrochloride
CID 68720808
1-(Oxan-4-yl)propan-2-amine
CID 21054632
1-(Oxan-4-yl)propan-1-amine
CID 56828166
1-Fluoro-1-(oxan-4-yl)propan-2-amine
CID 105431697
(1R)-1-(2,2-dimethyloxan-4-yl)ethan-1-amine
CID 58368199
2-Methyl-1-(oxan-4-yl)propan-1-amine
CID 63935058
1-(2,2-Dimethyloxan-4-yl)ethan-1-amine
CID 66439165
1-(Oxan-4-yl)hexane-1,2-diamine
CID 69113844
(2S)-3-[(3R)-oxan-3-yl]propane-1,2-diamine
CID 70253660
(2S)-1-N-methyl-3-(oxan-4-yl)propane-1,2-diamine
CID 70271940
3-(Oxan-3-yl)propane-1,2-diamine
CID 70303236
1-(Oxan-4-yl)propane-1,2-diamine
CID 84107722

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(oxan-4-yl)propane-1,2-diamine?
The IUPAC name of 2-methyl-1-(oxan-4-yl)propane-1,2-diamine (CID 116932713) is 2-methyl-1-(oxan-4-yl)propane-1,2-diamine.
What is the SMILES notation for 2-methyl-1-(oxan-4-yl)propane-1,2-diamine?
The canonical SMILES for 2-methyl-1-(oxan-4-yl)propane-1,2-diamine is CC(C)(N)C(N)C1CCOCC1.
What is the InChIKey of 2-methyl-1-(oxan-4-yl)propane-1,2-diamine?
The InChIKey is CGZMVTHAZFBMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-9(2,11)8(10)7-3-5-12-6-4-7/h7-8H,3-6,10-11H2,1-2H3.
What are the key properties of 2-methyl-1-(oxan-4-yl)propane-1,2-diamine?
2-methyl-1-(oxan-4-yl)propane-1,2-diamine has a molecular weight of 172.27 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(oxan-4-yl)propane-1,2-diamine is sourced from PubChem (CID 116932713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).