N-(3,3-dimethylbutyl)-2,2-dimethylbutane-1,4-diamine

C12H28N2 — CID 115204534

IUPACN-(3,3-dimethylbutyl)-2,2-dimethylbutane-1,4-diamine
SMILESCC(C)(C)CCNCC(C)(C)CCN
InChIInChI=1S/C12H28N2/c1-11(2,3)7-9-14-10-12(4,5)6-8-13/h14H,6-10,13H2,1-5H3
InChIKeyBPCGMDNYKTWYBG-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.39
Rot. Bonds6

About N-(3,3-dimethylbutyl)-2,2-dimethylbutane-1,4-diamine

N-(3,3-dimethylbutyl)-2,2-dimethylbutane-1,4-diamine (PubChem CID 115204534) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-2,2-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-2,2-dimethylbutane-1,4-diamine
PubChem CID115204534
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC NameN-(3,3-dimethylbutyl)-2,2-dimethylbutane-1,4-diamine
SMILESCC(C)(C)CCNCC(C)(C)CCN
InChIInChI=1S/C12H28N2/c1-11(2,3)7-9-14-10-12(4,5)6-8-13/h14H,6-10,13H2,1-5H3
InChIKeyBPCGMDNYKTWYBG-UHFFFAOYSA-N
XLogP2.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclohexylethyl)-2,2-dimethylbutane-1,4-diamine
CID 115204587
N'-(2,2-dimethylpropyl)ethane-1,2-diamine
CID 61168060
2,2-dimethyl-N-[(2,3,4-trimethylphenyl)methyl]butane-1,4-diamine
CID 115204464
3,3-dimethylbutan-1-amine;hydroiodide
CID 173144991
3,3-dimethylbutan-1-amine;hydrobromide
CID 173119170
3,3-dimethyl-N'-(2,2,2-trifluoroethyl)hexane-1,6-diamine
CID 65296229
N-(3,3-dimethylbutyl)-3,3-dimethylpentan-1-amine
CID 170291391
2,2-dimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]butane-1,4-diamine
CID 115204592
N-(4-amino-2,2-dimethylbutyl)-3,3-dimethylbutane-1-sulfonamide
CID 106141530
4-[(3-hydroxy-3-methylbutyl)amino]-3,3-dimethylbutan-1-ol
CID 106146641
N-ethyl-2,2-dimethylhexane-1,6-diamine
CID 142012033
N-[2-(2,4-difluorophenyl)ethyl]-2,2-dimethylbutane-1,4-diamine
CID 115204562

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-2,2-dimethylbutane-1,4-diamine?
The IUPAC name of N-(3,3-dimethylbutyl)-2,2-dimethylbutane-1,4-diamine (CID 115204534) is N-(3,3-dimethylbutyl)-2,2-dimethylbutane-1,4-diamine.
What is the SMILES notation for N-(3,3-dimethylbutyl)-2,2-dimethylbutane-1,4-diamine?
The canonical SMILES for N-(3,3-dimethylbutyl)-2,2-dimethylbutane-1,4-diamine is CC(C)(C)CCNCC(C)(C)CCN.
What is the InChIKey of N-(3,3-dimethylbutyl)-2,2-dimethylbutane-1,4-diamine?
The InChIKey is BPCGMDNYKTWYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-11(2,3)7-9-14-10-12(4,5)6-8-13/h14H,6-10,13H2,1-5H3.
What are the key properties of N-(3,3-dimethylbutyl)-2,2-dimethylbutane-1,4-diamine?
N-(3,3-dimethylbutyl)-2,2-dimethylbutane-1,4-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-2,2-dimethylbutane-1,4-diamine is sourced from PubChem (CID 115204534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).