N-cyclobutyl-N,2,2-trimethylbutane-1,4-diamine

C11H24N2 — CID 115204377

IUPACN-cyclobutyl-N,2,2-trimethylbutane-1,4-diamine
SMILESCN(CC(C)(C)CCN)C1CCC1
InChIInChI=1S/C11H24N2/c1-11(2,7-8-12)9-13(3)10-5-4-6-10/h10H,4-9,12H2,1-3H3
InChIKeyVQIUPAUVDUJIBY-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.85
Rot. Bonds5

About N-cyclobutyl-N,2,2-trimethylbutane-1,4-diamine

N-cyclobutyl-N,2,2-trimethylbutane-1,4-diamine (PubChem CID 115204377) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N-cyclobutyl-N,2,2-trimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-cyclobutyl-N,2,2-trimethylbutane-1,4-diamine
PubChem CID115204377
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN-cyclobutyl-N,2,2-trimethylbutane-1,4-diamine
SMILESCN(CC(C)(C)CCN)C1CCC1
InChIInChI=1S/C11H24N2/c1-11(2,7-8-12)9-13(3)10-5-4-6-10/h10H,4-9,12H2,1-3H3
InChIKeyVQIUPAUVDUJIBY-UHFFFAOYSA-N
XLogP1.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N,2,2-trimethylbutane-1,4-diamine?
The IUPAC name of N-cyclobutyl-N,2,2-trimethylbutane-1,4-diamine (CID 115204377) is N-cyclobutyl-N,2,2-trimethylbutane-1,4-diamine.
What is the SMILES notation for N-cyclobutyl-N,2,2-trimethylbutane-1,4-diamine?
The canonical SMILES for N-cyclobutyl-N,2,2-trimethylbutane-1,4-diamine is CN(CC(C)(C)CCN)C1CCC1.
What is the InChIKey of N-cyclobutyl-N,2,2-trimethylbutane-1,4-diamine?
The InChIKey is VQIUPAUVDUJIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-11(2,7-8-12)9-13(3)10-5-4-6-10/h10H,4-9,12H2,1-3H3.
What are the key properties of N-cyclobutyl-N,2,2-trimethylbutane-1,4-diamine?
N-cyclobutyl-N,2,2-trimethylbutane-1,4-diamine has a molecular weight of 184.33 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N,2,2-trimethylbutane-1,4-diamine is sourced from PubChem (CID 115204377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).