N,N,3,3-tetramethyl-1-(oxan-4-yl)butane-1,4-diamine

C13H28N2O — CID 116905772

IUPACN,N,3,3-tetramethyl-1-(oxan-4-yl)butane-1,4-diamine
SMILESCN(C)C(CC(C)(C)CN)C1CCOCC1
InChIInChI=1S/C13H28N2O/c1-13(2,10-14)9-12(15(3)4)11-5-7-16-8-6-11/h11-12H,5-10,14H2,1-4H3
InChIKeyYWKKWKFGSUUINS-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.72
Rot. Bonds5

About N,N,3,3-tetramethyl-1-(oxan-4-yl)butane-1,4-diamine

N,N,3,3-tetramethyl-1-(oxan-4-yl)butane-1,4-diamine (PubChem CID 116905772) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N,N,3,3-tetramethyl-1-(oxan-4-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN,N,3,3-tetramethyl-1-(oxan-4-yl)butane-1,4-diamine
PubChem CID116905772
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN,N,3,3-tetramethyl-1-(oxan-4-yl)butane-1,4-diamine
SMILESCN(C)C(CC(C)(C)CN)C1CCOCC1
InChIInChI=1S/C13H28N2O/c1-13(2,10-14)9-12(15(3)4)11-5-7-16-8-6-11/h11-12H,5-10,14H2,1-4H3
InChIKeyYWKKWKFGSUUINS-UHFFFAOYSA-N
XLogP1.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N,3,3-tetramethyl-1-(oxan-4-yl)butane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(dimethylamino)-2,2-dimethyl-4-(oxan-4-yl)butanoic acid
CID 116908336
2-chloro-N,N-dimethyl-1-(oxan-4-yl)ethanamine
CID 116907498
1-N,1-N-dimethyl-1-(oxan-4-yl)pentane-1,4-diamine
CID 116905634
N,N,2-trimethyl-1-(oxan-4-yl)propane-1,3-diamine
CID 116904749
3-(dimethylamino)-3-(oxan-4-yl)propanenitrile
CID 116910000
N-cyclopropyl-N-methyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 62384670
2,2-dimethyl-1-(oxan-4-yl)propane-1,3-diamine
CID 116933491
3-(dimethylamino)-3-(oxan-4-yl)propanoic acid
CID 64528543
N-methyl-N-(2-methylpropyl)-1-(oxan-4-yl)ethane-1,2-diamine
CID 62386315
3,3-dimethyl-1-(oxan-4-yl)butan-1-ol
CID 63937877
methyl 3-(dimethylamino)-3-(oxan-4-yl)propanoate
CID 116910252
N'-(1-cyclopropylpropyl)-N',2,2-trimethylpropane-1,3-diamine
CID 79651995

Frequently Asked Questions

What is the IUPAC name of N,N,3,3-tetramethyl-1-(oxan-4-yl)butane-1,4-diamine?
The IUPAC name of N,N,3,3-tetramethyl-1-(oxan-4-yl)butane-1,4-diamine (CID 116905772) is N,N,3,3-tetramethyl-1-(oxan-4-yl)butane-1,4-diamine.
What is the SMILES notation for N,N,3,3-tetramethyl-1-(oxan-4-yl)butane-1,4-diamine?
The canonical SMILES for N,N,3,3-tetramethyl-1-(oxan-4-yl)butane-1,4-diamine is CN(C)C(CC(C)(C)CN)C1CCOCC1.
What is the InChIKey of N,N,3,3-tetramethyl-1-(oxan-4-yl)butane-1,4-diamine?
The InChIKey is YWKKWKFGSUUINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-13(2,10-14)9-12(15(3)4)11-5-7-16-8-6-11/h11-12H,5-10,14H2,1-4H3.
What are the key properties of N,N,3,3-tetramethyl-1-(oxan-4-yl)butane-1,4-diamine?
N,N,3,3-tetramethyl-1-(oxan-4-yl)butane-1,4-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3,3-tetramethyl-1-(oxan-4-yl)butane-1,4-diamine is sourced from PubChem (CID 116905772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).