5-(butan-2-ylideneamino)-2,2,4,4-tetramethylpentan-1-amine

C13H28N2 — CID 123484076

IUPAC5-(butan-2-ylideneamino)-2,2,4,4-tetramethylpentan-1-amine
SMILESCC/C(C)=N/CC(C)(C)CC(C)(C)CN
InChIInChI=1S/C13H28N2/c1-7-11(2)15-10-13(5,6)8-12(3,4)9-14/h7-10,14H2,1-6H3/b15-11+
InChIKeyDVOHJEYDKGBFNA-RVDMUPIBSA-N
MW212.38 g/mol
LogP3.26
Rot. Bonds6

About 5-(butan-2-ylideneamino)-2,2,4,4-tetramethylpentan-1-amine

5-(butan-2-ylideneamino)-2,2,4,4-tetramethylpentan-1-amine (PubChem CID 123484076) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 5-(butan-2-ylideneamino)-2,2,4,4-tetramethylpentan-1-amine.

Molecular Properties

Compound Name5-(butan-2-ylideneamino)-2,2,4,4-tetramethylpentan-1-amine
PubChem CID123484076
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name5-(butan-2-ylideneamino)-2,2,4,4-tetramethylpentan-1-amine
SMILESCC/C(C)=N/CC(C)(C)CC(C)(C)CN
InChIInChI=1S/C13H28N2/c1-7-11(2)15-10-13(5,6)8-12(3,4)9-14/h7-10,14H2,1-6H3/b15-11+
InChIKeyDVOHJEYDKGBFNA-RVDMUPIBSA-N
XLogP3.26
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(butan-2-ylideneamino)-2,2,4,4-tetramethylpentan-1-amine?
The IUPAC name of 5-(butan-2-ylideneamino)-2,2,4,4-tetramethylpentan-1-amine (CID 123484076) is 5-(butan-2-ylideneamino)-2,2,4,4-tetramethylpentan-1-amine.
What is the SMILES notation for 5-(butan-2-ylideneamino)-2,2,4,4-tetramethylpentan-1-amine?
The canonical SMILES for 5-(butan-2-ylideneamino)-2,2,4,4-tetramethylpentan-1-amine is CC/C(C)=N/CC(C)(C)CC(C)(C)CN.
What is the InChIKey of 5-(butan-2-ylideneamino)-2,2,4,4-tetramethylpentan-1-amine?
The InChIKey is DVOHJEYDKGBFNA-RVDMUPIBSA-N. The full InChI is InChI=1S/C13H28N2/c1-7-11(2)15-10-13(5,6)8-12(3,4)9-14/h7-10,14H2,1-6H3/b15-11+.
What are the key properties of 5-(butan-2-ylideneamino)-2,2,4,4-tetramethylpentan-1-amine?
5-(butan-2-ylideneamino)-2,2,4,4-tetramethylpentan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butan-2-ylideneamino)-2,2,4,4-tetramethylpentan-1-amine is sourced from PubChem (CID 123484076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).