N-tert-butyl-N'-methyl-N'-(2-methylpropyl)butane-1,4-diamine

C13H30N2 — CID 62422222

IUPACN-tert-butyl-N'-methyl-N'-(2-methylpropyl)butane-1,4-diamine
SMILESCC(C)CN(C)CCCCNC(C)(C)C
InChIInChI=1S/C13H30N2/c1-12(2)11-15(6)10-8-7-9-14-13(3,4)5/h12,14H,7-11H2,1-6H3
InChIKeyQFYYWSFOCIMXJC-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.74
Rot. Bonds7

About N-tert-butyl-N'-methyl-N'-(2-methylpropyl)butane-1,4-diamine

N-tert-butyl-N'-methyl-N'-(2-methylpropyl)butane-1,4-diamine (PubChem CID 62422222) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is N-tert-butyl-N'-methyl-N'-(2-methylpropyl)butane-1,4-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-methyl-N'-(2-methylpropyl)butane-1,4-diamine
PubChem CID62422222
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC NameN-tert-butyl-N'-methyl-N'-(2-methylpropyl)butane-1,4-diamine
SMILESCC(C)CN(C)CCCCNC(C)(C)C
InChIInChI=1S/C13H30N2/c1-12(2)11-15(6)10-8-7-9-14-13(3,4)5/h12,14H,7-11H2,1-6H3
InChIKeyQFYYWSFOCIMXJC-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-N'-(2,2-dimethylpropyl)-N'-methylbutane-1,4-diamine
CID 62461728
N'-methyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine
CID 62422401
N-tert-butyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)butane-1,4-diamine
CID 62431378
N'-methyl-N'-(2-methylpropyl)-N-propylpentane-1,5-diamine
CID 62421110
N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)pentane-1,5-diamine
CID 62434303
1-N-tert-butyl-4-N,4-N-bis(2-methylpropyl)pentane-1,4-diamine
CID 62426971
4-fluoro-N-methyl-N-(2-methylpropyl)butan-1-amine
CID 126593992
N'-methyl-N,N'-bis(2-methylpropyl)propane-1,3-diamine
CID 62421290
N'-butan-2-yl-N-tert-butyl-N'-ethylbutane-1,4-diamine
CID 62420127
2-methyl-5-[methyl(2-methylpropyl)amino]-2-(propylamino)pentan-1-ol
CID 64796336
N-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylbutane-1,4-diamine
CID 105417884
N'-benzyl-N-tert-butyl-N'-methylbutane-1,4-diamine
CID 62423998

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-methyl-N'-(2-methylpropyl)butane-1,4-diamine?
The IUPAC name of N-tert-butyl-N'-methyl-N'-(2-methylpropyl)butane-1,4-diamine (CID 62422222) is N-tert-butyl-N'-methyl-N'-(2-methylpropyl)butane-1,4-diamine.
What is the SMILES notation for N-tert-butyl-N'-methyl-N'-(2-methylpropyl)butane-1,4-diamine?
The canonical SMILES for N-tert-butyl-N'-methyl-N'-(2-methylpropyl)butane-1,4-diamine is CC(C)CN(C)CCCCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-methyl-N'-(2-methylpropyl)butane-1,4-diamine?
The InChIKey is QFYYWSFOCIMXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-12(2)11-15(6)10-8-7-9-14-13(3,4)5/h12,14H,7-11H2,1-6H3.
What are the key properties of N-tert-butyl-N'-methyl-N'-(2-methylpropyl)butane-1,4-diamine?
N-tert-butyl-N'-methyl-N'-(2-methylpropyl)butane-1,4-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-methyl-N'-(2-methylpropyl)butane-1,4-diamine is sourced from PubChem (CID 62422222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).