1-N'-butan-2-yl-1-N-propan-2-ylpropane-1,1-diamine

C10H24N2 — CID 154626442

IUPAC1-N'-butan-2-yl-1-N-propan-2-ylpropane-1,1-diamine
SMILESCCC(C)NC(CC)NC(C)C
InChIInChI=1S/C10H24N2/c1-6-9(5)12-10(7-2)11-8(3)4/h8-12H,6-7H2,1-5H3
InChIKeyODIMDVPBOALYBV-UHFFFAOYSA-N
MW172.32 g/mol
LogP2.11
Rot. Bonds6

About 1-N'-butan-2-yl-1-N-propan-2-ylpropane-1,1-diamine

1-N'-butan-2-yl-1-N-propan-2-ylpropane-1,1-diamine (PubChem CID 154626442) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 1-N'-butan-2-yl-1-N-propan-2-ylpropane-1,1-diamine.

Molecular Properties

Compound Name1-N'-butan-2-yl-1-N-propan-2-ylpropane-1,1-diamine
PubChem CID154626442
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name1-N'-butan-2-yl-1-N-propan-2-ylpropane-1,1-diamine
SMILESCCC(C)NC(CC)NC(C)C
InChIInChI=1S/C10H24N2/c1-6-9(5)12-10(7-2)11-8(3)4/h8-12H,6-7H2,1-5H3
InChIKeyODIMDVPBOALYBV-UHFFFAOYSA-N
XLogP2.11
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-N-(2-methylpropyl)-1-N'-propan-2-ylpropane-1,1-diamine
CID 167346296
1-N'-butan-2-yl-1-N-ethylbutane-1,1-diamine
CID 154626445
1-N'-butan-2-yl-1-N-propylbutane-1,1-diamine
CID 154626252
1-N,1-N'-di(butan-2-yl)-3-silylprop-2-ene-1,1-diamine
CID 172699977
N-butan-2-ylbutan-2-amine;sulfuric acid
CID 138397269
1-N'-butan-2-yl-1-N-ethylethane-1,1-diamine
CID 154626189
N-butan-2-yl-2,6-dimethylheptan-4-amine
CID 43110369
N-butan-2-ylheptan-4-amine
CID 43190303
propane;N-propan-2-ylpentan-3-amine
CID 144761250
1-N-butan-2-yl-1-N'-(2-methylbutan-2-yl)butane-1,1-diamine
CID 154626201
N-butan-2-yl-4-chlorobutan-2-amine
CID 83187312
2-N-butan-2-ylbutane-1,2-diamine
CID 65383275

Frequently Asked Questions

What is the IUPAC name of 1-N'-butan-2-yl-1-N-propan-2-ylpropane-1,1-diamine?
The IUPAC name of 1-N'-butan-2-yl-1-N-propan-2-ylpropane-1,1-diamine (CID 154626442) is 1-N'-butan-2-yl-1-N-propan-2-ylpropane-1,1-diamine.
What is the SMILES notation for 1-N'-butan-2-yl-1-N-propan-2-ylpropane-1,1-diamine?
The canonical SMILES for 1-N'-butan-2-yl-1-N-propan-2-ylpropane-1,1-diamine is CCC(C)NC(CC)NC(C)C.
What is the InChIKey of 1-N'-butan-2-yl-1-N-propan-2-ylpropane-1,1-diamine?
The InChIKey is ODIMDVPBOALYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-6-9(5)12-10(7-2)11-8(3)4/h8-12H,6-7H2,1-5H3.
What are the key properties of 1-N'-butan-2-yl-1-N-propan-2-ylpropane-1,1-diamine?
1-N'-butan-2-yl-1-N-propan-2-ylpropane-1,1-diamine has a molecular weight of 172.32 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-butan-2-yl-1-N-propan-2-ylpropane-1,1-diamine is sourced from PubChem (CID 154626442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).