N'-methyl-N'-(3-methylbutyl)butane-1,4-diamine

C10H24N2 — CID 61425657

IUPACN'-methyl-N'-(3-methylbutyl)butane-1,4-diamine
SMILESCC(C)CCN(C)CCCCN
InChIInChI=1S/C10H24N2/c1-10(2)6-9-12(3)8-5-4-7-11/h10H,4-9,11H2,1-3H3
InChIKeyXSROEFJHQUMLKE-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.70
Rot. Bonds7

About N'-methyl-N'-(3-methylbutyl)butane-1,4-diamine

N'-methyl-N'-(3-methylbutyl)butane-1,4-diamine (PubChem CID 61425657) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is N'-methyl-N'-(3-methylbutyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(3-methylbutyl)butane-1,4-diamine
PubChem CID61425657
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC NameN'-methyl-N'-(3-methylbutyl)butane-1,4-diamine
SMILESCC(C)CCN(C)CCCCN
InChIInChI=1S/C10H24N2/c1-10(2)6-9-12(3)8-5-4-7-11/h10H,4-9,11H2,1-3H3
InChIKeyXSROEFJHQUMLKE-UHFFFAOYSA-N
XLogP1.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.70
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'-(4-methylpentyl)propane-1,3-diamine
CID 59817423
N'-(3-aminopropyl)-N'-methylbutane-1,4-diamine
CID 13307740
N-(3-fluoropropyl)-N,3-dimethylbutan-1-amine
CID 142351395
N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(2-methylpropane)
CID 145273852
4-[methyl(3-methylbutyl)amino]butan-1-ol
CID 61429001
N'-(2-aminoethyl)-N'-methylpentane-1,5-diamine
CID 57004343
1-N-methyl-1-N-(4-methylpentyl)butane-1,3-diamine
CID 90943925
2-[4-aminobutyl(methyl)amino]ethanol
CID 12647849
4-N-methyl-4-N-(3-methylbutyl)pentane-1,4-diamine
CID 62462204
N-methyl-N-(3-methylbutyl)-7-propan-2-yloxyheptan-1-amine
CID 171725800
N',N'-bis(2-methylpropyl)pentane-1,5-diamine
CID 3723368
N'-(3-aminopropyl)-N'-(2-methylpropyl)butane-1,4-diamine
CID 86269595

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(3-methylbutyl)butane-1,4-diamine?
The IUPAC name of N'-methyl-N'-(3-methylbutyl)butane-1,4-diamine (CID 61425657) is N'-methyl-N'-(3-methylbutyl)butane-1,4-diamine.
What is the SMILES notation for N'-methyl-N'-(3-methylbutyl)butane-1,4-diamine?
The canonical SMILES for N'-methyl-N'-(3-methylbutyl)butane-1,4-diamine is CC(C)CCN(C)CCCCN.
What is the InChIKey of N'-methyl-N'-(3-methylbutyl)butane-1,4-diamine?
The InChIKey is XSROEFJHQUMLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-10(2)6-9-12(3)8-5-4-7-11/h10H,4-9,11H2,1-3H3.
What are the key properties of N'-methyl-N'-(3-methylbutyl)butane-1,4-diamine?
N'-methyl-N'-(3-methylbutyl)butane-1,4-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(3-methylbutyl)butane-1,4-diamine is sourced from PubChem (CID 61425657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).