2-N,2-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine

C11H26N2 — CID 61425963

IUPAC2-N,2-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine
SMILESCCC(C)(CN)N(C)CCC(C)C
InChIInChI=1S/C11H26N2/c1-6-11(4,9-12)13(5)8-7-10(2)3/h10H,6-9,12H2,1-5H3
InChIKeyQHKYWYYXQWJBKT-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.09
Rot. Bonds6

About 2-N,2-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine

2-N,2-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine (PubChem CID 61425963) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 2-N,2-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine
PubChem CID61425963
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name2-N,2-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine
SMILESCCC(C)(CN)N(C)CCC(C)C
InChIInChI=1S/C11H26N2/c1-6-11(4,9-12)13(5)8-7-10(2)3/h10H,6-9,12H2,1-5H3
InChIKeyQHKYWYYXQWJBKT-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine
CID 61425411
3-methoxy-2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine
CID 62534549
2-methyl-2-N-(3-methylbutyl)-2-N-propylbutane-1,2-diamine
CID 62007587
2-N,2-dimethyl-2-N-[2-(2-methylpropoxy)ethyl]butane-1,2-diamine
CID 106450923
2-N,2-dimethyl-2-N-pentylbutane-1,2-diamine
CID 43294696
ethane;N,2,4-trimethyl-N-(3-methylbutyl)pentan-2-amine
CID 157040656
N',2-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine
CID 81080379
2-methyl-2-N,2-N-bis(3-methylbutyl)octane-1,2-diamine
CID 107869523
2-N,2-dimethyl-2-N-(2-methylpropyl)nonane-1,2-diamine
CID 43271963
2-ethyl-2-N,2-N-bis(3-methylbutyl)butane-1,2-diamine
CID 107869452
2-N,2-dimethyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]butane-1,2-diamine
CID 82889191
2-N-ethyl-2-methyl-2-N-(2-methylpentyl)butane-1,2-diamine
CID 62265004

Frequently Asked Questions

What is the IUPAC name of 2-N,2-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine?
The IUPAC name of 2-N,2-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine (CID 61425963) is 2-N,2-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine.
What is the SMILES notation for 2-N,2-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine?
The canonical SMILES for 2-N,2-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine is CCC(C)(CN)N(C)CCC(C)C.
What is the InChIKey of 2-N,2-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine?
The InChIKey is QHKYWYYXQWJBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-6-11(4,9-12)13(5)8-7-10(2)3/h10H,6-9,12H2,1-5H3.
What are the key properties of 2-N,2-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine?
2-N,2-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine is sourced from PubChem (CID 61425963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).