N',N'-di(propan-2-yl)butane-1,4-diamine

C10H24N2 — CID 15365351

IUPACN',N'-di(propan-2-yl)butane-1,4-diamine
SMILESCC(C)N(CCCCN)C(C)C
InChIInChI=1S/C10H24N2/c1-9(2)12(10(3)4)8-6-5-7-11/h9-10H,5-8,11H2,1-4H3
InChIKeyOWRQMOQBTYIJQC-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.84
Rot. Bonds6

About N',N'-di(propan-2-yl)butane-1,4-diamine

N',N'-di(propan-2-yl)butane-1,4-diamine (PubChem CID 15365351) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is N',N'-di(propan-2-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN',N'-di(propan-2-yl)butane-1,4-diamine
PubChem CID15365351
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC NameN',N'-di(propan-2-yl)butane-1,4-diamine
SMILESCC(C)N(CCCCN)C(C)C
InChIInChI=1S/C10H24N2/c1-9(2)12(10(3)4)8-6-5-7-11/h9-10H,5-8,11H2,1-4H3
InChIKeyOWRQMOQBTYIJQC-UHFFFAOYSA-N
XLogP1.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.84
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',N'-bis(1-aminoethyl)butane-1,4-diamine
CID 87162655
1-[4-aminobutyl(1-hydroxyethyl)amino]ethanol
CID 57194430
N'-butan-2-yl-N'-propan-2-ylpropane-1,3-diamine
CID 43137443
1-[5-aminopentyl(1-hydroxyethyl)amino]ethanol
CID 87634485
1-[12-aminododecyl(1-hydroxyethyl)amino]ethanol
CID 54281081
N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 16748474
2,3-dimethylbutane;N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 87486817
N',N'-diethylbutane-1,4-diamine;N',N'-diethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 159329709
N',N'-di(propan-2-yl)ethane-1,2-diamine;ethane;molecular hydrogen
CID 142371506
N,N-di(propan-2-yl)heptadecan-1-amine
CID 138744995
N',N'-bis(1-aminopropyl)butane-1,4-diamine
CID 87162355
N,N-di(propan-2-yl)butan-1-amine
CID 11062646

Frequently Asked Questions

What is the IUPAC name of N',N'-di(propan-2-yl)butane-1,4-diamine?
The IUPAC name of N',N'-di(propan-2-yl)butane-1,4-diamine (CID 15365351) is N',N'-di(propan-2-yl)butane-1,4-diamine.
What is the SMILES notation for N',N'-di(propan-2-yl)butane-1,4-diamine?
The canonical SMILES for N',N'-di(propan-2-yl)butane-1,4-diamine is CC(C)N(CCCCN)C(C)C.
What is the InChIKey of N',N'-di(propan-2-yl)butane-1,4-diamine?
The InChIKey is OWRQMOQBTYIJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-9(2)12(10(3)4)8-6-5-7-11/h9-10H,5-8,11H2,1-4H3.
What are the key properties of N',N'-di(propan-2-yl)butane-1,4-diamine?
N',N'-di(propan-2-yl)butane-1,4-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-di(propan-2-yl)butane-1,4-diamine is sourced from PubChem (CID 15365351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).