2-N'-butan-2-yl-2-N-ethyl-2-N'-methylbutane-2,2-diamine

C11H26N2 — CID 173142647

IUPAC2-N'-butan-2-yl-2-N-ethyl-2-N'-methylbutane-2,2-diamine
SMILESCCNC(C)(CC)N(C)C(C)CC
InChIInChI=1S/C11H26N2/c1-7-10(4)13(6)11(5,8-2)12-9-3/h10,12H,7-9H2,1-6H3
InChIKeyILSNNGZIKIGKGK-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.45
Rot. Bonds6

About 2-N'-butan-2-yl-2-N-ethyl-2-N'-methylbutane-2,2-diamine

2-N'-butan-2-yl-2-N-ethyl-2-N'-methylbutane-2,2-diamine (PubChem CID 173142647) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 2-N'-butan-2-yl-2-N-ethyl-2-N'-methylbutane-2,2-diamine.

Molecular Properties

Compound Name2-N'-butan-2-yl-2-N-ethyl-2-N'-methylbutane-2,2-diamine
PubChem CID173142647
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name2-N'-butan-2-yl-2-N-ethyl-2-N'-methylbutane-2,2-diamine
SMILESCCNC(C)(CC)N(C)C(C)CC
InChIInChI=1S/C11H26N2/c1-7-10(4)13(6)11(5,8-2)12-9-3/h10,12H,7-9H2,1-6H3
InChIKeyILSNNGZIKIGKGK-UHFFFAOYSA-N
XLogP2.45
TPSA15.27 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 ≤ 52.45
H-Bond Donors ≤ 51
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-N-butan-2-yl-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 62568252
N-ethyl-2-methyl-3-silylpentan-3-amine
CID 173064739
N-ethyl-3-methoxy-2-methylbutan-2-amine
CID 118495888
2-N-butan-2-yl-2-N,2-dimethyl-1-N-tritiobutane-1,2-diamine
CID 59909534
2-N-methyl-2-N-(2-methylbutan-2-yl)-3-N-propylpentane-2,3-diamine
CID 63983796
N-ethyl-3-silylpentan-3-amine
CID 173065045
1-chloro-1-N-ethyl-1-N',1-N',2-trimethyl-2-silylpropane-1,1-diamine
CID 173059198
1-N-tert-butyl-2-N,3-dimethyl-2-N-(2-methylbutan-2-yl)butane-1,2-diamine
CID 63965886
(3R)-N-tert-butyl-4-methylhexan-3-amine
CID 89089273
N-ethyl-3-methylpent-1-en-3-amine
CID 55286067
2-(ethylamino)-4-[ethyl(methyl)amino]-2-methylpentan-1-ol
CID 64797008
2-(ethylamino)-N,2-dimethyl-N-(2-methylpropyl)propanamide
CID 62833280

Frequently Asked Questions

What is the IUPAC name of 2-N'-butan-2-yl-2-N-ethyl-2-N'-methylbutane-2,2-diamine?
The IUPAC name of 2-N'-butan-2-yl-2-N-ethyl-2-N'-methylbutane-2,2-diamine (CID 173142647) is 2-N'-butan-2-yl-2-N-ethyl-2-N'-methylbutane-2,2-diamine.
What is the SMILES notation for 2-N'-butan-2-yl-2-N-ethyl-2-N'-methylbutane-2,2-diamine?
The canonical SMILES for 2-N'-butan-2-yl-2-N-ethyl-2-N'-methylbutane-2,2-diamine is CCNC(C)(CC)N(C)C(C)CC.
What is the InChIKey of 2-N'-butan-2-yl-2-N-ethyl-2-N'-methylbutane-2,2-diamine?
The InChIKey is ILSNNGZIKIGKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-7-10(4)13(6)11(5,8-2)12-9-3/h10,12H,7-9H2,1-6H3.
What are the key properties of 2-N'-butan-2-yl-2-N-ethyl-2-N'-methylbutane-2,2-diamine?
2-N'-butan-2-yl-2-N-ethyl-2-N'-methylbutane-2,2-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N'-butan-2-yl-2-N-ethyl-2-N'-methylbutane-2,2-diamine is sourced from PubChem (CID 173142647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).