2-cyclobutyl-N',N'-dimethylpropane-1,3-diamine

C9H20N2 — CID 117245609

IUPAC2-cyclobutyl-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CC(CN)C1CCC1
InChIInChI=1S/C9H20N2/c1-11(2)7-9(6-10)8-4-3-5-8/h8-9H,3-7,10H2,1-2H3
InChIKeyRGRKGSNPCCYISW-UHFFFAOYSA-N
MW156.27 g/mol
LogP0.92
Rot. Bonds4

About 2-cyclobutyl-N',N'-dimethylpropane-1,3-diamine

2-cyclobutyl-N',N'-dimethylpropane-1,3-diamine (PubChem CID 117245609) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-cyclobutyl-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name2-cyclobutyl-N',N'-dimethylpropane-1,3-diamine
PubChem CID117245609
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name2-cyclobutyl-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CC(CN)C1CCC1
InChIInChI=1S/C9H20N2/c1-11(2)7-9(6-10)8-4-3-5-8/h8-9H,3-7,10H2,1-2H3
InChIKeyRGRKGSNPCCYISW-UHFFFAOYSA-N
XLogP0.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of 2-cyclobutyl-N',N'-dimethylpropane-1,3-diamine (CID 117245609) is 2-cyclobutyl-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 2-cyclobutyl-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 2-cyclobutyl-N',N'-dimethylpropane-1,3-diamine is CN(C)CC(CN)C1CCC1.
What is the InChIKey of 2-cyclobutyl-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is RGRKGSNPCCYISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-11(2)7-9(6-10)8-4-3-5-8/h8-9H,3-7,10H2,1-2H3.
What are the key properties of 2-cyclobutyl-N',N'-dimethylpropane-1,3-diamine?
2-cyclobutyl-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 156.27 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 117245609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).