N-tert-butyl-N'-(2,2-dimethylpropyl)-N'-methylbutane-1,4-diamine

C14H32N2 — CID 62461728

IUPACN-tert-butyl-N'-(2,2-dimethylpropyl)-N'-methylbutane-1,4-diamine
SMILESCN(CCCCNC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C14H32N2/c1-13(2,3)12-16(7)11-9-8-10-15-14(4,5)6/h15H,8-12H2,1-7H3
InChIKeyAZGHPYQIVLVVIZ-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.13
Rot. Bonds6

About N-tert-butyl-N'-(2,2-dimethylpropyl)-N'-methylbutane-1,4-diamine

N-tert-butyl-N'-(2,2-dimethylpropyl)-N'-methylbutane-1,4-diamine (PubChem CID 62461728) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is N-tert-butyl-N'-(2,2-dimethylpropyl)-N'-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-(2,2-dimethylpropyl)-N'-methylbutane-1,4-diamine
PubChem CID62461728
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC NameN-tert-butyl-N'-(2,2-dimethylpropyl)-N'-methylbutane-1,4-diamine
SMILESCN(CCCCNC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C14H32N2/c1-13(2,3)12-16(7)11-9-8-10-15-14(4,5)6/h15H,8-12H2,1-7H3
InChIKeyAZGHPYQIVLVVIZ-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.13
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'-[4-[4-(tert-butylamino)butylamino]butyl]-N-ethylbutane-1,4-diamine
CID 9948779
N,N'-Di-t-butyl-trimethylenediamine
CID 469925
N-(1,1-Dimethylethyl)-1-butanamine
CID 85447
Dibutadiamin dihydrochloride
CID 15852
1,2-Propanediamine, N(sup 2)-butyl-2-methyl-
CID 3039391
N,N'-bis[4-(tert-butylamino)butyl]butane-1,4-diamine
CID 10360043
Neopentyl, t-butyl amine
CID 143556
6-Methoxy-imidazo[1,2-a]pyrazine-2-carboxylic acid ethyl ester
CID 53439267
Dibutadiamine
CID 15853
Hexane, 1,6-bis-t-butylamino-
CID 58903015
1,8-Diamino-8-methyl-5-azanonane
CID 87094266
1-N-[2-(dimethylamino)ethyl]-2-N,2-dimethylpropane-1,2-diamine
CID 117569093

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-(2,2-dimethylpropyl)-N'-methylbutane-1,4-diamine?
The IUPAC name of N-tert-butyl-N'-(2,2-dimethylpropyl)-N'-methylbutane-1,4-diamine (CID 62461728) is N-tert-butyl-N'-(2,2-dimethylpropyl)-N'-methylbutane-1,4-diamine.
What is the SMILES notation for N-tert-butyl-N'-(2,2-dimethylpropyl)-N'-methylbutane-1,4-diamine?
The canonical SMILES for N-tert-butyl-N'-(2,2-dimethylpropyl)-N'-methylbutane-1,4-diamine is CN(CCCCNC(C)(C)C)CC(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-(2,2-dimethylpropyl)-N'-methylbutane-1,4-diamine?
The InChIKey is AZGHPYQIVLVVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-13(2,3)12-16(7)11-9-8-10-15-14(4,5)6/h15H,8-12H2,1-7H3.
What are the key properties of N-tert-butyl-N'-(2,2-dimethylpropyl)-N'-methylbutane-1,4-diamine?
N-tert-butyl-N'-(2,2-dimethylpropyl)-N'-methylbutane-1,4-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-(2,2-dimethylpropyl)-N'-methylbutane-1,4-diamine is sourced from PubChem (CID 62461728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).