3-N,3-N-diethyl-3-methyl-1-(oxan-4-yl)pentane-2,3-diamine

C15H32N2O — CID 79064633

IUPAC3-N,3-N-diethyl-3-methyl-1-(oxan-4-yl)pentane-2,3-diamine
SMILESCCN(CC)C(C)(CC)C(N)CC1CCOCC1
InChIInChI=1S/C15H32N2O/c1-5-15(4,17(6-2)7-3)14(16)12-13-8-10-18-11-9-13/h13-14H,5-12,16H2,1-4H3
InChIKeyRNBOUMXXEWTXLV-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.64
Rot. Bonds7

About 3-N,3-N-diethyl-3-methyl-1-(oxan-4-yl)pentane-2,3-diamine

3-N,3-N-diethyl-3-methyl-1-(oxan-4-yl)pentane-2,3-diamine (PubChem CID 79064633) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 3-N,3-N-diethyl-3-methyl-1-(oxan-4-yl)pentane-2,3-diamine.

Molecular Properties

Compound Name3-N,3-N-diethyl-3-methyl-1-(oxan-4-yl)pentane-2,3-diamine
PubChem CID79064633
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name3-N,3-N-diethyl-3-methyl-1-(oxan-4-yl)pentane-2,3-diamine
SMILESCCN(CC)C(C)(CC)C(N)CC1CCOCC1
InChIInChI=1S/C15H32N2O/c1-5-15(4,17(6-2)7-3)14(16)12-13-8-10-18-11-9-13/h13-14H,5-12,16H2,1-4H3
InChIKeyRNBOUMXXEWTXLV-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-3-N,3-N-diethyl-3-methylpentane-2,3-diamine
CID 79068981
1-cyclopropyl-2-N,2-N-diethyl-2-methylbutane-1,2-diamine
CID 79069292
3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine
CID 79056544
(2S)-1-(oxan-4-yl)propan-2-amine
CID 94422387
1-(oxan-4-yl)propan-2-amine
CID 21054632
3-N,3-N-diethyl-3-methylhept-6-yne-3,4-diamine
CID 79068904
3-methyl-1-(oxan-4-yl)pentan-2-amine
CID 63716846
2-(dimethylamino)-2-methyl-1-(oxan-4-yl)butan-1-ol
CID 79064392
1-(4-tert-butylcyclohexyl)-2-(oxan-4-yl)ethanamine
CID 65402159
2-N,2-N,2-triethyl-1-(oxan-3-yl)butane-1,2-diamine
CID 107136583
1-cyclohexyl-2-(oxan-4-yl)ethanamine
CID 62600303
3,3-dimethyl-1-(oxan-4-yl)butan-2-ol
CID 62606524

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-diethyl-3-methyl-1-(oxan-4-yl)pentane-2,3-diamine?
The IUPAC name of 3-N,3-N-diethyl-3-methyl-1-(oxan-4-yl)pentane-2,3-diamine (CID 79064633) is 3-N,3-N-diethyl-3-methyl-1-(oxan-4-yl)pentane-2,3-diamine.
What is the SMILES notation for 3-N,3-N-diethyl-3-methyl-1-(oxan-4-yl)pentane-2,3-diamine?
The canonical SMILES for 3-N,3-N-diethyl-3-methyl-1-(oxan-4-yl)pentane-2,3-diamine is CCN(CC)C(C)(CC)C(N)CC1CCOCC1.
What is the InChIKey of 3-N,3-N-diethyl-3-methyl-1-(oxan-4-yl)pentane-2,3-diamine?
The InChIKey is RNBOUMXXEWTXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-15(4,17(6-2)7-3)14(16)12-13-8-10-18-11-9-13/h13-14H,5-12,16H2,1-4H3.
What are the key properties of 3-N,3-N-diethyl-3-methyl-1-(oxan-4-yl)pentane-2,3-diamine?
3-N,3-N-diethyl-3-methyl-1-(oxan-4-yl)pentane-2,3-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-diethyl-3-methyl-1-(oxan-4-yl)pentane-2,3-diamine is sourced from PubChem (CID 79064633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).