1-(oxolan-3-yl)butane-2,3-diamine

C8H18N2O — CID 126685843

IUPAC1-(oxolan-3-yl)butane-2,3-diamine
SMILESCC(N)C(N)CC1CCOC1
InChIInChI=1S/C8H18N2O/c1-6(9)8(10)4-7-2-3-11-5-7/h6-8H,2-5,9-10H2,1H3
InChIKeyVCWQMAMBJBLFAK-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.09
Rot. Bonds3

About 1-(oxolan-3-yl)butane-2,3-diamine

1-(oxolan-3-yl)butane-2,3-diamine (PubChem CID 126685843) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 1-(oxolan-3-yl)butane-2,3-diamine.

Molecular Properties

Compound Name1-(oxolan-3-yl)butane-2,3-diamine
PubChem CID126685843
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name1-(oxolan-3-yl)butane-2,3-diamine
SMILESCC(N)C(N)CC1CCOC1
InChIInChI=1S/C8H18N2O/c1-6(9)8(10)4-7-2-3-11-5-7/h6-8H,2-5,9-10H2,1H3
InChIKeyVCWQMAMBJBLFAK-UHFFFAOYSA-N
XLogP0.09
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1-(oxolan-3-yl)hexan-2-amine
CID 103986842
1,2-bis(oxolan-3-yl)ethanamine
CID 103986754
1-(oxan-3-yl)propan-2-amine
CID 63737520
2-methyl-3-[(3S)-oxolan-3-yl]propanamide
CID 162453240
3-methyl-1-(oxan-4-yl)pentan-2-amine
CID 63716846
1-(oxan-4-yl)propan-2-amine
CID 21054632
(2S)-1-(oxan-4-yl)propan-2-amine
CID 94422387
[1-cyclopropyl-2-(oxolan-3-yl)ethyl]hydrazine
CID 105265931
[1-cyclopentyl-2-(oxolan-3-yl)ethyl]hydrazine
CID 105265979
1-N-methyl-1-N-(oxolan-3-ylmethyl)propane-1,2-diamine
CID 63760483
[1-cyclobutyl-2-(oxolan-3-yl)ethyl]hydrazine
CID 105266198
5,5,5-trifluoro-1-(oxolan-3-yl)pentan-2-amine
CID 103986661

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)butane-2,3-diamine?
The IUPAC name of 1-(oxolan-3-yl)butane-2,3-diamine (CID 126685843) is 1-(oxolan-3-yl)butane-2,3-diamine.
What is the SMILES notation for 1-(oxolan-3-yl)butane-2,3-diamine?
The canonical SMILES for 1-(oxolan-3-yl)butane-2,3-diamine is CC(N)C(N)CC1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)butane-2,3-diamine?
The InChIKey is VCWQMAMBJBLFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-6(9)8(10)4-7-2-3-11-5-7/h6-8H,2-5,9-10H2,1H3.
What are the key properties of 1-(oxolan-3-yl)butane-2,3-diamine?
1-(oxolan-3-yl)butane-2,3-diamine has a molecular weight of 158.25 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)butane-2,3-diamine is sourced from PubChem (CID 126685843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).