N'-butan-2-yl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine

C12H28N2 — CID 62559232

IUPACN'-butan-2-yl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
SMILESCCC(C)N(C)CCNCCC(C)C
InChIInChI=1S/C12H28N2/c1-6-12(4)14(5)10-9-13-8-7-11(2)3/h11-13H,6-10H2,1-5H3
InChIKeyOWWJWIURMPOEPB-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.35
Rot. Bonds8

About N'-butan-2-yl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine

N'-butan-2-yl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine (PubChem CID 62559232) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is N'-butan-2-yl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
PubChem CID62559232
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC NameN'-butan-2-yl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
SMILESCCC(C)N(C)CCNCCC(C)C
InChIInChI=1S/C12H28N2/c1-6-12(4)14(5)10-9-13-8-7-11(2)3/h11-13H,6-10H2,1-5H3
InChIKeyOWWJWIURMPOEPB-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.35
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'-butan-2-yl-N-hexyl-N'-methylethane-1,2-diamine
CID 62561098
N'-butan-2-yl-N'-methyl-N-prop-2-ynylethane-1,2-diamine
CID 62560907
N'-butan-2-yl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride
CID 115607911
N'-methyl-N-(4-methylpentyl)-N'-propan-2-ylethane-1,2-diamine
CID 59420439
N,N'-di(butan-2-yl)-N'-methylethane-1,2-diamine
CID 60852501
N'-butan-2-yl-N-hexan-3-yl-N'-methylethane-1,2-diamine
CID 115905627
N-[2-(diethylamino)ethyl]-N'-methyl-N'-pentan-2-ylethane-1,2-diamine
CID 55089810
N'-cyclopropyl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 62575619
ethane;3-methyl-N-propylbutan-1-amine
CID 142041555
N'-methyl-N-(3-methylbutyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112666080
N'-butan-2-yl-N'-ethyl-N-(4-methylpentyl)ethane-1,2-diamine
CID 62559989
N'-butan-2-yl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62560168

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine?
The IUPAC name of N'-butan-2-yl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine (CID 62559232) is N'-butan-2-yl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine.
What is the SMILES notation for N'-butan-2-yl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine?
The canonical SMILES for N'-butan-2-yl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine is CCC(C)N(C)CCNCCC(C)C.
What is the InChIKey of N'-butan-2-yl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine?
The InChIKey is OWWJWIURMPOEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-6-12(4)14(5)10-9-13-8-7-11(2)3/h11-13H,6-10H2,1-5H3.
What are the key properties of N'-butan-2-yl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine?
N'-butan-2-yl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 62559232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).