N,N'-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine

C11H26N2 — CID 63964794

IUPACN,N'-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine
SMILESCCC(C)(C)N(C)CCCCNC
InChIInChI=1S/C11H26N2/c1-6-11(2,3)13(5)10-8-7-9-12-4/h12H,6-10H2,1-5H3
InChIKeyAEWMXYNAAKIAOK-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.11
Rot. Bonds7

About N,N'-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine

N,N'-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine (PubChem CID 63964794) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine
PubChem CID63964794
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC NameN,N'-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine
SMILESCCC(C)(C)N(C)CCCCNC
InChIInChI=1S/C11H26N2/c1-6-11(2,3)13(5)10-8-7-9-12-4/h12H,6-10H2,1-5H3
InChIKeyAEWMXYNAAKIAOK-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(2-methylbutan-2-yl)hexan-1-amine
CID 167034677
1-N,4-N-dimethyl-1-N-(2-methylbutan-2-yl)pentane-1,4-diamine
CID 63982710
2-methyl-2-(methylamino)-6-[methyl(2-methylbutan-2-yl)amino]hexanenitrile
CID 63966463
N,N'-dimethyl-N'-[4-(methylamino)butyl]butane-1,4-diamine
CID 21130479
N-(2-methoxyethyl)-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
CID 63982714
N,N',N'-trimethylheptane-1,7-diamine
CID 20647758
methyl 4-[methyl(2-methylbutan-2-yl)amino]butanoate
CID 63965064
azane;N,N',N'-trimethylhexane-1,6-diamine
CID 23104245
N-methyl-N-[6-(methylamino)hexyl]hydroxylamine
CID 147147994
N,N'-dimethyl-N'-tetradecylbutane-1,4-diamine
CID 139950987
3-[methyl(2-methylbutan-2-yl)amino]propane-1-sulfonamide
CID 112691055
ethane;propane;N,N,N'-trimethyl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 171506447

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine?
The IUPAC name of N,N'-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine (CID 63964794) is N,N'-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine?
The canonical SMILES for N,N'-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine is CCC(C)(C)N(C)CCCCNC.
What is the InChIKey of N,N'-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine?
The InChIKey is AEWMXYNAAKIAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-6-11(2,3)13(5)10-8-7-9-12-4/h12H,6-10H2,1-5H3.
What are the key properties of N,N'-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine?
N,N'-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine is sourced from PubChem (CID 63964794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).