N'-(2,2,3,3-tetramethylbutyl)methanediamine

C9H22N2 — CID 115226324

IUPACN'-(2,2,3,3-tetramethylbutyl)methanediamine
SMILESCC(C)(C)C(C)(C)CNCN
InChIInChI=1S/C9H22N2/c1-8(2,3)9(4,5)6-11-7-10/h11H,6-7,10H2,1-5H3
InChIKeyZFMAWDNQKBDARF-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.56
Rot. Bonds3

About N'-(2,2,3,3-tetramethylbutyl)methanediamine

N'-(2,2,3,3-tetramethylbutyl)methanediamine (PubChem CID 115226324) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is N'-(2,2,3,3-tetramethylbutyl)methanediamine.

Molecular Properties

Compound NameN'-(2,2,3,3-tetramethylbutyl)methanediamine
PubChem CID115226324
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC NameN'-(2,2,3,3-tetramethylbutyl)methanediamine
SMILESCC(C)(C)C(C)(C)CNCN
InChIInChI=1S/C9H22N2/c1-8(2,3)9(4,5)6-11-7-10/h11H,6-7,10H2,1-5H3
InChIKeyZFMAWDNQKBDARF-UHFFFAOYSA-N
XLogP1.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N'-(2,2,3,3-tetramethylbutyl)propane-1,3-diamine
CID 115198913
(2,2,3,3-tetramethylbutylamino)methanethiol
CID 115228509
2,2,3,3-tetramethylbutylhydrazine
CID 130727218
1-[(2,2,3,3-tetramethylbutylamino)methyl]cyclopropan-1-amine
CID 115257108
2-(2,2,3,3-tetramethylbutylamino)acetonitrile
CID 115131458
N-(2-chloroethyl)-2,2,3,3-tetramethylbutan-1-amine
CID 115215261
2,2,3,3-tetramethyl-N-(2-methylpropyl)butan-1-amine
CID 138647776
N-[[1-(aminomethyl)cyclobutyl]methyl]-2,2,3,3-tetramethylbutan-1-amine
CID 115245990
2,2-dimethyl-3-(2,2,3,3-tetramethylbutylamino)propan-1-ol
CID 115135569
N'-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]methanediamine
CID 115226362
N'-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]methanediamine
CID 115226366
N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]methanediamine
CID 115226401

Frequently Asked Questions

What is the IUPAC name of N'-(2,2,3,3-tetramethylbutyl)methanediamine?
The IUPAC name of N'-(2,2,3,3-tetramethylbutyl)methanediamine (CID 115226324) is N'-(2,2,3,3-tetramethylbutyl)methanediamine.
What is the SMILES notation for N'-(2,2,3,3-tetramethylbutyl)methanediamine?
The canonical SMILES for N'-(2,2,3,3-tetramethylbutyl)methanediamine is CC(C)(C)C(C)(C)CNCN.
What is the InChIKey of N'-(2,2,3,3-tetramethylbutyl)methanediamine?
The InChIKey is ZFMAWDNQKBDARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-8(2,3)9(4,5)6-11-7-10/h11H,6-7,10H2,1-5H3.
What are the key properties of N'-(2,2,3,3-tetramethylbutyl)methanediamine?
N'-(2,2,3,3-tetramethylbutyl)methanediamine has a molecular weight of 158.29 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2,3,3-tetramethylbutyl)methanediamine is sourced from PubChem (CID 115226324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).