[(6Z)-6-(aminomethylidene)-3-propylcyclohexa-2,4-dien-1-ylidene]methanediamine

C11H17N3 — CID 134189612

IUPAC[(6Z)-6-(aminomethylidene)-3-propylcyclohexa-2,4-dien-1-ylidene]methanediamine
SMILESCCCc1cc/c(=C/N)c(=C(N)N)c1
InChIInChI=1S/C11H17N3/c1-2-3-8-4-5-9(7-12)10(6-8)11(13)14/h4-7H,2-3,12-14H2,1H3/b9-7-
InChIKeyLDFHMBIFTQWJTM-CLFYSBASSA-N
MW191.28 g/mol
LogP-0.68
Rot. Bonds2

About [(6Z)-6-(aminomethylidene)-3-propylcyclohexa-2,4-dien-1-ylidene]methanediamine

[(6Z)-6-(aminomethylidene)-3-propylcyclohexa-2,4-dien-1-ylidene]methanediamine (PubChem CID 134189612) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is [(6Z)-6-(aminomethylidene)-3-propylcyclohexa-2,4-dien-1-ylidene]methanediamine.

Molecular Properties

Compound Name[(6Z)-6-(aminomethylidene)-3-propylcyclohexa-2,4-dien-1-ylidene]methanediamine
PubChem CID134189612
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name[(6Z)-6-(aminomethylidene)-3-propylcyclohexa-2,4-dien-1-ylidene]methanediamine
SMILESCCCc1cc/c(=C/N)c(=C(N)N)c1
InChIInChI=1S/C11H17N3/c1-2-3-8-4-5-9(7-12)10(6-8)11(13)14/h4-7H,2-3,12-14H2,1H3/b9-7-
InChIKeyLDFHMBIFTQWJTM-CLFYSBASSA-N
XLogP-0.68
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(6Z)-6-(aminomethylidene)-3-propylcyclohexa-2,4-dien-1-ylidene]methanediamine?
The IUPAC name of [(6Z)-6-(aminomethylidene)-3-propylcyclohexa-2,4-dien-1-ylidene]methanediamine (CID 134189612) is [(6Z)-6-(aminomethylidene)-3-propylcyclohexa-2,4-dien-1-ylidene]methanediamine.
What is the SMILES notation for [(6Z)-6-(aminomethylidene)-3-propylcyclohexa-2,4-dien-1-ylidene]methanediamine?
The canonical SMILES for [(6Z)-6-(aminomethylidene)-3-propylcyclohexa-2,4-dien-1-ylidene]methanediamine is CCCc1cc/c(=C/N)c(=C(N)N)c1.
What is the InChIKey of [(6Z)-6-(aminomethylidene)-3-propylcyclohexa-2,4-dien-1-ylidene]methanediamine?
The InChIKey is LDFHMBIFTQWJTM-CLFYSBASSA-N. The full InChI is InChI=1S/C11H17N3/c1-2-3-8-4-5-9(7-12)10(6-8)11(13)14/h4-7H,2-3,12-14H2,1H3/b9-7-.
What are the key properties of [(6Z)-6-(aminomethylidene)-3-propylcyclohexa-2,4-dien-1-ylidene]methanediamine?
[(6Z)-6-(aminomethylidene)-3-propylcyclohexa-2,4-dien-1-ylidene]methanediamine has a molecular weight of 191.28 g/mol, XLogP of -0.68, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6Z)-6-(aminomethylidene)-3-propylcyclohexa-2,4-dien-1-ylidene]methanediamine is sourced from PubChem (CID 134189612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).