N,N'-di(butan-2-yl)-N'-methylethane-1,2-diamine

C11H26N2 — CID 60852501

IUPACN,N'-di(butan-2-yl)-N'-methylethane-1,2-diamine
SMILESCCC(C)NCCN(C)C(C)CC
InChIInChI=1S/C11H26N2/c1-6-10(3)12-8-9-13(5)11(4)7-2/h10-12H,6-9H2,1-5H3
InChIKeyMWZRRJJEOQQIBP-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.10
Rot. Bonds7

About N,N'-di(butan-2-yl)-N'-methylethane-1,2-diamine

N,N'-di(butan-2-yl)-N'-methylethane-1,2-diamine (PubChem CID 60852501) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is N,N'-di(butan-2-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-di(butan-2-yl)-N'-methylethane-1,2-diamine
PubChem CID60852501
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC NameN,N'-di(butan-2-yl)-N'-methylethane-1,2-diamine
SMILESCCC(C)NCCN(C)C(C)CC
InChIInChI=1S/C11H26N2/c1-6-10(3)12-8-9-13(5)11(4)7-2/h10-12H,6-9H2,1-5H3
InChIKeyMWZRRJJEOQQIBP-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-butan-2-yl-N-hexan-3-yl-N'-methylethane-1,2-diamine
CID 115905627
N-butan-2-yl-N',N'-dipropylethane-1,2-diamine
CID 54809596
4-[3-[2-[butan-2-yl(methyl)amino]ethylamino]butyl]phenol
CID 104861930
2-[2-(butan-2-ylamino)ethyl-(2-hydroxyethyl)amino]ethanol
CID 130198825
N'-butan-2-yl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 62559232
N'-butan-2-yl-N'-methyl-N-prop-2-ynylethane-1,2-diamine
CID 62560907
N-butan-2-yl-N'-cycloheptyl-N'-methylethane-1,2-diamine
CID 60853944
N'-butan-2-yl-N-[2-[butan-2-yl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine
CID 159533219
N'-butan-2-yl-N-hexyl-N'-methylethane-1,2-diamine
CID 62561098
N'-butan-2-yl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride
CID 115607911
N-butan-2-yl-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
CID 61418838
2-N-[2-[methyl(propan-2-yl)amino]ethyl]propane-1,2-diamine
CID 103389816

Frequently Asked Questions

What is the IUPAC name of N,N'-di(butan-2-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N,N'-di(butan-2-yl)-N'-methylethane-1,2-diamine (CID 60852501) is N,N'-di(butan-2-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N,N'-di(butan-2-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N,N'-di(butan-2-yl)-N'-methylethane-1,2-diamine is CCC(C)NCCN(C)C(C)CC.
What is the InChIKey of N,N'-di(butan-2-yl)-N'-methylethane-1,2-diamine?
The InChIKey is MWZRRJJEOQQIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-6-10(3)12-8-9-13(5)11(4)7-2/h10-12H,6-9H2,1-5H3.
What are the key properties of N,N'-di(butan-2-yl)-N'-methylethane-1,2-diamine?
N,N'-di(butan-2-yl)-N'-methylethane-1,2-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-di(butan-2-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 60852501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).