1-cyclobutylidene-N'-propan-2-ylethane-1,2-diamine

C9H18N2 — CID 129045485

IUPAC1-cyclobutylidene-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCC(N)=C1CCC1
InChIInChI=1S/C9H18N2/c1-7(2)11-6-9(10)8-4-3-5-8/h7,11H,3-6,10H2,1-2H3
InChIKeyHNCSRPIOTASSRJ-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.38
Rot. Bonds3

About 1-cyclobutylidene-N'-propan-2-ylethane-1,2-diamine

1-cyclobutylidene-N'-propan-2-ylethane-1,2-diamine (PubChem CID 129045485) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-cyclobutylidene-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclobutylidene-N'-propan-2-ylethane-1,2-diamine
PubChem CID129045485
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-cyclobutylidene-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCC(N)=C1CCC1
InChIInChI=1S/C9H18N2/c1-7(2)11-6-9(10)8-4-3-5-8/h7,11H,3-6,10H2,1-2H3
InChIKeyHNCSRPIOTASSRJ-UHFFFAOYSA-N
XLogP1.38
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutylidene-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of 1-cyclobutylidene-N'-propan-2-ylethane-1,2-diamine (CID 129045485) is 1-cyclobutylidene-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-cyclobutylidene-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-cyclobutylidene-N'-propan-2-ylethane-1,2-diamine is CC(C)NCC(N)=C1CCC1.
What is the InChIKey of 1-cyclobutylidene-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is HNCSRPIOTASSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-7(2)11-6-9(10)8-4-3-5-8/h7,11H,3-6,10H2,1-2H3.
What are the key properties of 1-cyclobutylidene-N'-propan-2-ylethane-1,2-diamine?
1-cyclobutylidene-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 154.26 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylidene-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 129045485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).