3-tert-butyl-4,4-dimethylpentane-1,2-diamine

C11H26N2 — CID 174104417

IUPAC3-tert-butyl-4,4-dimethylpentane-1,2-diamine
SMILESCC(C)(C)C(C(N)CN)C(C)(C)C
InChIInChI=1S/C11H26N2/c1-10(2,3)9(8(13)7-12)11(4,5)6/h8-9H,7,12-13H2,1-6H3
InChIKeyGYTUUCKMGPILCD-UHFFFAOYSA-N
MW186.34 g/mol
LogP1.98
Rot. Bonds2

About 3-tert-butyl-4,4-dimethylpentane-1,2-diamine

3-tert-butyl-4,4-dimethylpentane-1,2-diamine (PubChem CID 174104417) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 3-tert-butyl-4,4-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name3-tert-butyl-4,4-dimethylpentane-1,2-diamine
PubChem CID174104417
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name3-tert-butyl-4,4-dimethylpentane-1,2-diamine
SMILESCC(C)(C)C(C(N)CN)C(C)(C)C
InChIInChI=1S/C11H26N2/c1-10(2,3)9(8(13)7-12)11(4,5)6/h8-9H,7,12-13H2,1-6H3
InChIKeyGYTUUCKMGPILCD-UHFFFAOYSA-N
XLogP1.98
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 87644309
CID 87644309
2,2-dimethylpropane-1,1-diamine;2,2-dimethylpropane-1,3-diamine
CID 87393297
1-amino-3,3-dimethylbutane-2-thiol
CID 116868560
2-fluoro-3,3-dimethylbutan-1-amine;hydrochloride
CID 105430435
(2R,3S)-3-methylpentane-1,2-diamine
CID 93094304
CID 87644957
CID 87644957
(2S)-propane-1,2-diamine
CID 642322
2,2,6,6-tetramethylheptane-3,4-diamine
CID 175410275
(2S)-1,2-diaminopentan-3-ol
CID 129142351
2-(aminomethyl)-2-methylpropane-1,3-diamine;2-(aminomethyl)propane-1,3-diamine
CID 158675128
2,2,4,4-tetramethylpentane-1,3,5-triamine
CID 88802410
3-tert-butyl-4-ethyl-2,2-dimethylhexane
CID 57493156

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4,4-dimethylpentane-1,2-diamine?
The IUPAC name of 3-tert-butyl-4,4-dimethylpentane-1,2-diamine (CID 174104417) is 3-tert-butyl-4,4-dimethylpentane-1,2-diamine.
What is the SMILES notation for 3-tert-butyl-4,4-dimethylpentane-1,2-diamine?
The canonical SMILES for 3-tert-butyl-4,4-dimethylpentane-1,2-diamine is CC(C)(C)C(C(N)CN)C(C)(C)C.
What is the InChIKey of 3-tert-butyl-4,4-dimethylpentane-1,2-diamine?
The InChIKey is GYTUUCKMGPILCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-10(2,3)9(8(13)7-12)11(4,5)6/h8-9H,7,12-13H2,1-6H3.
What are the key properties of 3-tert-butyl-4,4-dimethylpentane-1,2-diamine?
3-tert-butyl-4,4-dimethylpentane-1,2-diamine has a molecular weight of 186.34 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4,4-dimethylpentane-1,2-diamine is sourced from PubChem (CID 174104417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).