N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)butane-1,4-diamine

C13H30N2 — CID 62463209

IUPACN-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)butane-1,4-diamine
SMILESCCNCCCCN(C)C(C)CC(C)C
InChIInChI=1S/C13H30N2/c1-6-14-9-7-8-10-15(5)13(4)11-12(2)3/h12-14H,6-11H2,1-5H3
InChIKeyRJGNLWOGLXHBSC-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.74
Rot. Bonds9

About N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)butane-1,4-diamine

N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)butane-1,4-diamine (PubChem CID 62463209) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)butane-1,4-diamine
PubChem CID62463209
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC NameN-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)butane-1,4-diamine
SMILESCCNCCCCN(C)C(C)CC(C)C
InChIInChI=1S/C13H30N2/c1-6-14-9-7-8-10-15(5)13(4)11-12(2)3/h12-14H,6-11H2,1-5H3
InChIKeyRJGNLWOGLXHBSC-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.74
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-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)butane-1,4-diamine
CID 62432648
N,N'-diethyl-N'-methylbutane-1,4-diamine
CID 62418557
N'-methyl-N'-pentan-2-yl-N-propylpentane-1,5-diamine
CID 62432727
N'-[1-(4-chlorophenyl)ethyl]-N-ethyl-N'-methylbutane-1,4-diamine
CID 62983848
N-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N'-methylbutane-1,4-diamine
CID 62568763
1-N-ethyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine
CID 62423009
N,N'-diethylpentane-1,5-diamine
CID 15013244
N-ethyl-5-methylhexan-1-amine;molecular hydrogen
CID 177161269
N-ethyl-N'-(5-methylhexyl)ethane-1,2-diamine
CID 115326127
N-ethyl-N',N'-dihydroxyhexane-1,6-diamine
CID 139878296
N-(2-methoxyethyl)-N'-methyl-N'-pentan-2-ylbutane-1,4-diamine
CID 62570404
4-N-butyl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine
CID 62425136

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)butane-1,4-diamine?
The IUPAC name of N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)butane-1,4-diamine (CID 62463209) is N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)butane-1,4-diamine.
What is the SMILES notation for N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)butane-1,4-diamine?
The canonical SMILES for N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)butane-1,4-diamine is CCNCCCCN(C)C(C)CC(C)C.
What is the InChIKey of N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)butane-1,4-diamine?
The InChIKey is RJGNLWOGLXHBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-6-14-9-7-8-10-15(5)13(4)11-12(2)3/h12-14H,6-11H2,1-5H3.
What are the key properties of N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)butane-1,4-diamine?
N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)butane-1,4-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)butane-1,4-diamine is sourced from PubChem (CID 62463209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).