2-tert-butyl-N,N'-bis(methylaminomethyl)-2-[(methylaminomethylamino)methyl]propane-1,3-diamine

C14H36N6 — CID 161304466

IUPAC2-tert-butyl-N,N'-bis(methylaminomethyl)-2-[(methylaminomethylamino)methyl]propane-1,3-diamine
SMILESCNCNCC(CNCNC)(CNCNC)C(C)(C)C
InChIInChI=1S/C14H36N6/c1-13(2,3)14(7-18-10-15-4,8-19-11-16-5)9-20-12-17-6/h15-20H,7-12H2,1-6H3
InChIKeyIIRVMYKAWJTPIW-UHFFFAOYSA-N
MW288.48 g/mol
LogP-0.68
Rot. Bonds12

About 2-tert-butyl-N,N'-bis(methylaminomethyl)-2-[(methylaminomethylamino)methyl]propane-1,3-diamine

2-tert-butyl-N,N'-bis(methylaminomethyl)-2-[(methylaminomethylamino)methyl]propane-1,3-diamine (PubChem CID 161304466) has the molecular formula C14H36N6 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-tert-butyl-N,N'-bis(methylaminomethyl)-2-[(methylaminomethylamino)methyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-tert-butyl-N,N'-bis(methylaminomethyl)-2-[(methylaminomethylamino)methyl]propane-1,3-diamine
PubChem CID161304466
Molecular FormulaC14H36N6
Molecular Weight288.48 g/mol
Exact Mass288.30
IUPAC Name2-tert-butyl-N,N'-bis(methylaminomethyl)-2-[(methylaminomethylamino)methyl]propane-1,3-diamine
SMILESCNCNCC(CNCNC)(CNCNC)C(C)(C)C
InChIInChI=1S/C14H36N6/c1-13(2,3)14(7-18-10-15-4,8-19-11-16-5)9-20-12-17-6/h15-20H,7-12H2,1-6H3
InChIKeyIIRVMYKAWJTPIW-UHFFFAOYSA-N
XLogP-0.68
TPSA72.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 5-0.68
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-tert-butyl-N,N'-bis(methylaminomethyl)-2-[(methylaminomethylamino)methyl]propane-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

N'-ethyl-N-methylmethanediamine
CID 21026729
N-methyl-N'-[2-methyl-2-(4-propylphenyl)propyl]methanediamine
CID 115227465
N'-[2-(2,5-dimethylphenyl)-2-methylpropyl]-N-methylmethanediamine
CID 115227446
2,3,3-trimethyl-1-(methylamino)butan-2-ol
CID 80559172
N'-[2-(4-ethoxyphenyl)-2-methylpropyl]-N-methylmethanediamine
CID 115227480
N'-(2,2-dimethylpropyl)-N-methylethane-1,2-diamine
CID 61168461
(2,2,3,3-tetramethylbutylamino)methanethiol
CID 115228509
N'-[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]-N-methylmethanediamine
CID 115227515
N,N'-dimethylmethanediamine;methane
CID 158590867
N'-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]-N-methylmethanediamine
CID 115227492
2-(methylamino)-N-(2,2,3,3-tetramethylbutyl)acetamide
CID 115152153
1-(2-tert-butylhydrazinyl)-N-methylmethanamine
CID 139323855

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N,N'-bis(methylaminomethyl)-2-[(methylaminomethylamino)methyl]propane-1,3-diamine?
The IUPAC name of 2-tert-butyl-N,N'-bis(methylaminomethyl)-2-[(methylaminomethylamino)methyl]propane-1,3-diamine (CID 161304466) is 2-tert-butyl-N,N'-bis(methylaminomethyl)-2-[(methylaminomethylamino)methyl]propane-1,3-diamine.
What is the SMILES notation for 2-tert-butyl-N,N'-bis(methylaminomethyl)-2-[(methylaminomethylamino)methyl]propane-1,3-diamine?
The canonical SMILES for 2-tert-butyl-N,N'-bis(methylaminomethyl)-2-[(methylaminomethylamino)methyl]propane-1,3-diamine is CNCNCC(CNCNC)(CNCNC)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N,N'-bis(methylaminomethyl)-2-[(methylaminomethylamino)methyl]propane-1,3-diamine?
The InChIKey is IIRVMYKAWJTPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H36N6/c1-13(2,3)14(7-18-10-15-4,8-19-11-16-5)9-20-12-17-6/h15-20H,7-12H2,1-6H3.
What are the key properties of 2-tert-butyl-N,N'-bis(methylaminomethyl)-2-[(methylaminomethylamino)methyl]propane-1,3-diamine?
2-tert-butyl-N,N'-bis(methylaminomethyl)-2-[(methylaminomethylamino)methyl]propane-1,3-diamine has a molecular weight of 288.48 g/mol, XLogP of -0.68, 12 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N,N'-bis(methylaminomethyl)-2-[(methylaminomethylamino)methyl]propane-1,3-diamine is sourced from PubChem (CID 161304466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).