1-(oxolan-2-yl)-N-propan-2-ylethane-1,2-diamine

C9H20N2O — CID 82835407

IUPAC1-(oxolan-2-yl)-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)NC(CN)C1CCCO1
InChIInChI=1S/C9H20N2O/c1-7(2)11-8(6-10)9-4-3-5-12-9/h7-9,11H,3-6,10H2,1-2H3
InChIKeyHAXDQAARUSQBTN-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.49
Rot. Bonds4

About 1-(oxolan-2-yl)-N-propan-2-ylethane-1,2-diamine

1-(oxolan-2-yl)-N-propan-2-ylethane-1,2-diamine (PubChem CID 82835407) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-propan-2-ylethane-1,2-diamine
PubChem CID82835407
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-(oxolan-2-yl)-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)NC(CN)C1CCCO1
InChIInChI=1S/C9H20N2O/c1-7(2)11-8(6-10)9-4-3-5-12-9/h7-9,11H,3-6,10H2,1-2H3
InChIKeyHAXDQAARUSQBTN-UHFFFAOYSA-N
XLogP0.49
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]propan-2-amine
CID 125486098
N-(2,2-dicyclopropylethyl)-1-(oxolan-2-yl)ethane-1,2-diamine
CID 82835521
N-[1,3-bis(oxan-2-yl)butyl]-1,3-bis(oxan-2-yl)butan-1-amine
CID 173131029
2-(ethylamino)-2-(oxolan-2-yl)ethanol
CID 82838374
N'-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441277
3-methyl-1-(oxolan-2-yl)-N-propylpentan-1-amine
CID 65328870
N-(2-bromophenyl)-1-(oxolan-2-yl)ethane-1,2-diamine
CID 82835319
4,4,4-trifluoro-N-[1-(oxolan-2-yl)propyl]butan-2-amine
CID 115896543
[2-ethoxy-1-(oxolan-2-yl)ethyl]hydrazine
CID 105229017
N-butan-2-yl-N-methyl-1-(oxolan-2-yl)ethane-1,2-diamine
CID 82835095
[4-methoxy-4-methyl-1-(oxolan-2-yl)pentyl]hydrazine
CID 103026331
2-(2-methoxyethylamino)-2-(oxolan-2-yl)ethanol
CID 82837239

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of 1-(oxolan-2-yl)-N-propan-2-ylethane-1,2-diamine (CID 82835407) is 1-(oxolan-2-yl)-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-(oxolan-2-yl)-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-(oxolan-2-yl)-N-propan-2-ylethane-1,2-diamine is CC(C)NC(CN)C1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)-N-propan-2-ylethane-1,2-diamine?
The InChIKey is HAXDQAARUSQBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-7(2)11-8(6-10)9-4-3-5-12-9/h7-9,11H,3-6,10H2,1-2H3.
What are the key properties of 1-(oxolan-2-yl)-N-propan-2-ylethane-1,2-diamine?
1-(oxolan-2-yl)-N-propan-2-ylethane-1,2-diamine has a molecular weight of 172.27 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 82835407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).