2-N,2-N-diethyl-1-N-(oxan-3-yl)propane-1,2-diamine

C12H26N2O — CID 115708721

IUPAC2-N,2-N-diethyl-1-N-(oxan-3-yl)propane-1,2-diamine
SMILESCCN(CC)C(C)CNC1CCCOC1
InChIInChI=1S/C12H26N2O/c1-4-14(5-2)11(3)9-13-12-7-6-8-15-10-12/h11-13H,4-10H2,1-3H3
InChIKeyYPPVHKZYZJQJOI-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.49
Rot. Bonds6

About 2-N,2-N-diethyl-1-N-(oxan-3-yl)propane-1,2-diamine

2-N,2-N-diethyl-1-N-(oxan-3-yl)propane-1,2-diamine (PubChem CID 115708721) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-N,2-N-diethyl-1-N-(oxan-3-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-1-N-(oxan-3-yl)propane-1,2-diamine
PubChem CID115708721
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-N,2-N-diethyl-1-N-(oxan-3-yl)propane-1,2-diamine
SMILESCCN(CC)C(C)CNC1CCCOC1
InChIInChI=1S/C12H26N2O/c1-4-14(5-2)11(3)9-13-12-7-6-8-15-10-12/h11-13H,4-10H2,1-3H3
InChIKeyYPPVHKZYZJQJOI-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N'-(oxan-3-yl)methanediamine
CID 139447312
1-(oxan-3-ylamino)pentan-2-ol
CID 115719380
2-N-cyclopropyl-2-N-methyl-1-N-(oxolan-3-yl)propane-1,2-diamine
CID 115689098
5-methyl-3-[(oxan-3-ylamino)methyl]hexan-1-ol
CID 115726077
4-methyl-2-[(oxan-3-ylamino)methyl]pentanoic acid
CID 122127774
4,4-dimethyl-1-(oxan-3-ylamino)pentan-2-ol
CID 115721192
N-(2-methylpropyl)-2-(oxan-3-ylamino)acetamide
CID 63363449
N-(2,2-dimethylpropyl)oxan-3-amine
CID 63360307
(3R)-N-methyloxan-3-amine
CID 58327948
2-N,2-N-dimethyl-1-N-(oxolan-3-yl)butane-1,2-diamine
CID 115688949
N-(2-ethoxyethyl)oxan-3-amine
CID 63363906
N-[[4-(diethylamino)phenyl]methyl]oxan-3-amine
CID 63360053

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-1-N-(oxan-3-yl)propane-1,2-diamine?
The IUPAC name of 2-N,2-N-diethyl-1-N-(oxan-3-yl)propane-1,2-diamine (CID 115708721) is 2-N,2-N-diethyl-1-N-(oxan-3-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-1-N-(oxan-3-yl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-N-diethyl-1-N-(oxan-3-yl)propane-1,2-diamine is CCN(CC)C(C)CNC1CCCOC1.
What is the InChIKey of 2-N,2-N-diethyl-1-N-(oxan-3-yl)propane-1,2-diamine?
The InChIKey is YPPVHKZYZJQJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-14(5-2)11(3)9-13-12-7-6-8-15-10-12/h11-13H,4-10H2,1-3H3.
What are the key properties of 2-N,2-N-diethyl-1-N-(oxan-3-yl)propane-1,2-diamine?
2-N,2-N-diethyl-1-N-(oxan-3-yl)propane-1,2-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-1-N-(oxan-3-yl)propane-1,2-diamine is sourced from PubChem (CID 115708721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).