N-propan-2-ylbutan-2-amine

C7H17N — CID 527140

IUPACN-propan-2-ylbutan-2-amine
SMILESCCC(C)NC(C)C
InChIInChI=1S/C7H17N/c1-5-7(4)8-6(2)3/h6-8H,5H2,1-4H3
InChIKeyJYOCKIVAXFOJOK-UHFFFAOYSA-N
MW115.22 g/mol
LogP1.78
Rot. Bonds3

About N-propan-2-ylbutan-2-amine

N-propan-2-ylbutan-2-amine (PubChem CID 527140) has the molecular formula C7H17N and a molecular weight of 115.22 g/mol. Its IUPAC name is N-propan-2-ylbutan-2-amine.

Molecular Properties

Compound NameN-propan-2-ylbutan-2-amine
PubChem CID527140
Molecular FormulaC7H17N
Molecular Weight115.22 g/mol
Exact Mass115.14
IUPAC NameN-propan-2-ylbutan-2-amine
SMILESCCC(C)NC(C)C
InChIInChI=1S/C7H17N/c1-5-7(4)8-6(2)3/h6-8H,5H2,1-4H3
InChIKeyJYOCKIVAXFOJOK-UHFFFAOYSA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.22
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylbutan-2-amine?
The IUPAC name of N-propan-2-ylbutan-2-amine (CID 527140) is N-propan-2-ylbutan-2-amine.
What is the SMILES notation for N-propan-2-ylbutan-2-amine?
The canonical SMILES for N-propan-2-ylbutan-2-amine is CCC(C)NC(C)C.
What is the InChIKey of N-propan-2-ylbutan-2-amine?
The InChIKey is JYOCKIVAXFOJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N/c1-5-7(4)8-6(2)3/h6-8H,5H2,1-4H3.
What are the key properties of N-propan-2-ylbutan-2-amine?
N-propan-2-ylbutan-2-amine has a molecular weight of 115.22 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylbutan-2-amine is sourced from PubChem (CID 527140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).