1-N-cyclohexa-1,5-dien-1-yl-1-N'-propan-2-ylethene-1,1-diamine

C11H18N2 — CID 135277988

IUPAC1-N-cyclohexa-1,5-dien-1-yl-1-N'-propan-2-ylethene-1,1-diamine
SMILESC=C(NC1=CCCC=C1)NC(C)C
InChIInChI=1S/C11H18N2/c1-9(2)12-10(3)13-11-7-5-4-6-8-11/h5,7-9,12-13H,3-4,6H2,1-2H3
InChIKeyAHIFQSHQYPGSEK-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.28
Rot. Bonds4

About 1-N-cyclohexa-1,5-dien-1-yl-1-N'-propan-2-ylethene-1,1-diamine

1-N-cyclohexa-1,5-dien-1-yl-1-N'-propan-2-ylethene-1,1-diamine (PubChem CID 135277988) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-N-cyclohexa-1,5-dien-1-yl-1-N'-propan-2-ylethene-1,1-diamine.

Molecular Properties

Compound Name1-N-cyclohexa-1,5-dien-1-yl-1-N'-propan-2-ylethene-1,1-diamine
PubChem CID135277988
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-N-cyclohexa-1,5-dien-1-yl-1-N'-propan-2-ylethene-1,1-diamine
SMILESC=C(NC1=CCCC=C1)NC(C)C
InChIInChI=1S/C11H18N2/c1-9(2)12-10(3)13-11-7-5-4-6-8-11/h5,7-9,12-13H,3-4,6H2,1-2H3
InChIKeyAHIFQSHQYPGSEK-UHFFFAOYSA-N
XLogP2.28
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexa-1,5-dien-1-yl-1-N'-propan-2-ylethene-1,1-diamine?
The IUPAC name of 1-N-cyclohexa-1,5-dien-1-yl-1-N'-propan-2-ylethene-1,1-diamine (CID 135277988) is 1-N-cyclohexa-1,5-dien-1-yl-1-N'-propan-2-ylethene-1,1-diamine.
What is the SMILES notation for 1-N-cyclohexa-1,5-dien-1-yl-1-N'-propan-2-ylethene-1,1-diamine?
The canonical SMILES for 1-N-cyclohexa-1,5-dien-1-yl-1-N'-propan-2-ylethene-1,1-diamine is C=C(NC1=CCCC=C1)NC(C)C.
What is the InChIKey of 1-N-cyclohexa-1,5-dien-1-yl-1-N'-propan-2-ylethene-1,1-diamine?
The InChIKey is AHIFQSHQYPGSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9(2)12-10(3)13-11-7-5-4-6-8-11/h5,7-9,12-13H,3-4,6H2,1-2H3.
What are the key properties of 1-N-cyclohexa-1,5-dien-1-yl-1-N'-propan-2-ylethene-1,1-diamine?
1-N-cyclohexa-1,5-dien-1-yl-1-N'-propan-2-ylethene-1,1-diamine has a molecular weight of 178.28 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexa-1,5-dien-1-yl-1-N'-propan-2-ylethene-1,1-diamine is sourced from PubChem (CID 135277988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).