N-tert-butyl-N',2,2-trimethylpropane-1,3-diamine

C10H24N2 — CID 12727164

IUPACN-tert-butyl-N',2,2-trimethylpropane-1,3-diamine
SMILESCNCC(C)(C)CNC(C)(C)C
InChIInChI=1S/C10H24N2/c1-9(2,3)12-8-10(4,5)7-11-6/h11-12H,7-8H2,1-6H3
InChIKeyUYDGICYXHJBAMS-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.62
Rot. Bonds4

About N-tert-butyl-N',2,2-trimethylpropane-1,3-diamine

N-tert-butyl-N',2,2-trimethylpropane-1,3-diamine (PubChem CID 12727164) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is N-tert-butyl-N',2,2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-N',2,2-trimethylpropane-1,3-diamine
PubChem CID12727164
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC NameN-tert-butyl-N',2,2-trimethylpropane-1,3-diamine
SMILESCNCC(C)(C)CNC(C)(C)C
InChIInChI=1S/C10H24N2/c1-9(2,3)12-8-10(4,5)7-11-6/h11-12H,7-8H2,1-6H3
InChIKeyUYDGICYXHJBAMS-UHFFFAOYSA-N
XLogP1.62
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-N',2,2-trimethylpropane-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,N'-Diisopropyl-1,3-propanediamine
CID 144018
N-ethyl-N-(3-(propylamino)propyl)propane-1,3-diamine
CID 5494411
1,3-Propanediamine, N-methyl-N'-[3-(methylamino)propyl]-
CID 3266971
N-ethyl-N'-[3-(ethylamino)propyl]propane-1,3-diamine
CID 9812978
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
Bis(2-amino-2-methylpropyl)amine
CID 226845
N,N'-Bis(2-methyl-2-butyl)-ethylenediamine
CID 469905
N'-[3-(propylamino)propyl]propane-1,3-diamine
CID 9812887
N'-[3-(ethylamino)propyl]propane-1,3-diamine
CID 9855554

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N',2,2-trimethylpropane-1,3-diamine?
The IUPAC name of N-tert-butyl-N',2,2-trimethylpropane-1,3-diamine (CID 12727164) is N-tert-butyl-N',2,2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-N',2,2-trimethylpropane-1,3-diamine?
The canonical SMILES for N-tert-butyl-N',2,2-trimethylpropane-1,3-diamine is CNCC(C)(C)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-N',2,2-trimethylpropane-1,3-diamine?
The InChIKey is UYDGICYXHJBAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-9(2,3)12-8-10(4,5)7-11-6/h11-12H,7-8H2,1-6H3.
What are the key properties of N-tert-butyl-N',2,2-trimethylpropane-1,3-diamine?
N-tert-butyl-N',2,2-trimethylpropane-1,3-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N',2,2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 12727164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).