1-N-tert-butyl-3-N-methyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine

C15H32N2O — CID 63705661

IUPAC1-N-tert-butyl-3-N-methyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine
SMILESCC(CCNC(C)(C)C)N(C)CC1CCOCC1
InChIInChI=1S/C15H32N2O/c1-13(6-9-16-15(2,3)4)17(5)12-14-7-10-18-11-8-14/h13-14,16H,6-12H2,1-5H3
InChIKeyMDWIZBMUWREGJH-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds6

About 1-N-tert-butyl-3-N-methyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine

1-N-tert-butyl-3-N-methyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine (PubChem CID 63705661) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-N-tert-butyl-3-N-methyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-3-N-methyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine
PubChem CID63705661
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name1-N-tert-butyl-3-N-methyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine
SMILESCC(CCNC(C)(C)C)N(C)CC1CCOCC1
InChIInChI=1S/C15H32N2O/c1-13(6-9-16-15(2,3)4)17(5)12-14-7-10-18-11-8-14/h13-14,16H,6-12H2,1-5H3
InChIKeyMDWIZBMUWREGJH-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-tert-butyl-3-N-methyl-3-N-(oxan-4-ylmethyl)butane-1,3-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

1-N-tert-butyl-3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine
CID 62436071
1-N,2-N-dimethyl-2-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 63707845
1-chloro-N-methyl-N-(oxan-4-ylmethyl)propan-2-amine
CID 104555183
1-N-(3-ethoxypropyl)-2-N-methyl-2-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 55227224
2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]pentanoic acid
CID 64705280
N-tert-butyl-N',2,2-trimethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine
CID 63713235
1-N-ethyl-3-N-methyl-3-N-[(1-methylpiperidin-4-yl)methyl]butane-1,3-diamine
CID 55174617
1-N-tert-butyl-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine
CID 63864384
N-tert-butyl-3,3-dimethyl-4-(oxan-4-yl)butan-1-amine
CID 81033927
ethyl 3-[methyl(oxan-4-ylmethyl)amino]butanoate
CID 63711538
N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]butanimidamide
CID 76987538
3-N-methyl-3-N-(oxan-4-ylmethyl)pentane-1,3-diamine
CID 63726447

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-3-N-methyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine?
The IUPAC name of 1-N-tert-butyl-3-N-methyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine (CID 63705661) is 1-N-tert-butyl-3-N-methyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine.
What is the SMILES notation for 1-N-tert-butyl-3-N-methyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine?
The canonical SMILES for 1-N-tert-butyl-3-N-methyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine is CC(CCNC(C)(C)C)N(C)CC1CCOCC1.
What is the InChIKey of 1-N-tert-butyl-3-N-methyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine?
The InChIKey is MDWIZBMUWREGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-13(6-9-16-15(2,3)4)17(5)12-14-7-10-18-11-8-14/h13-14,16H,6-12H2,1-5H3.
What are the key properties of 1-N-tert-butyl-3-N-methyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine?
1-N-tert-butyl-3-N-methyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-3-N-methyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine is sourced from PubChem (CID 63705661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).