(Z)-1-cyclohexa-1,5-dien-1-yl-N'-methylethene-1,2-diamine;propan-2-amine

C12H23N3 — CID 143111173

IUPAC(Z)-1-cyclohexa-1,5-dien-1-yl-N'-methylethene-1,2-diamine;propan-2-amine
SMILESCC(C)N.CN/C=C(\N)C1=CCCC=C1
InChIInChI=1S/C9H14N2.C3H9N/c1-11-7-9(10)8-5-3-2-4-6-8;1-3(2)4/h3,5-7,11H,2,4,10H2,1H3;3H,4H2,1-2H3/b9-7-;
InChIKeyJVXJEXZFQDIBBM-VILQZVERSA-N
MW209.34 g/mol
LogP1.64
Rot. Bonds2

About (Z)-1-cyclohexa-1,5-dien-1-yl-N'-methylethene-1,2-diamine;propan-2-amine

(Z)-1-cyclohexa-1,5-dien-1-yl-N'-methylethene-1,2-diamine;propan-2-amine (PubChem CID 143111173) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is (Z)-1-cyclohexa-1,5-dien-1-yl-N'-methylethene-1,2-diamine;propan-2-amine.

Molecular Properties

Compound Name(Z)-1-cyclohexa-1,5-dien-1-yl-N'-methylethene-1,2-diamine;propan-2-amine
PubChem CID143111173
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name(Z)-1-cyclohexa-1,5-dien-1-yl-N'-methylethene-1,2-diamine;propan-2-amine
SMILESCC(C)N.CN/C=C(\N)C1=CCCC=C1
InChIInChI=1S/C9H14N2.C3H9N/c1-11-7-9(10)8-5-3-2-4-6-8;1-3(2)4/h3,5-7,11H,2,4,10H2,1H3;3H,4H2,1-2H3/b9-7-;
InChIKeyJVXJEXZFQDIBBM-VILQZVERSA-N
XLogP1.64
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-cyclohexa-1,5-dien-1-yl-N'-methylethene-1,2-diamine;propan-2-amine?
The IUPAC name of (Z)-1-cyclohexa-1,5-dien-1-yl-N'-methylethene-1,2-diamine;propan-2-amine (CID 143111173) is (Z)-1-cyclohexa-1,5-dien-1-yl-N'-methylethene-1,2-diamine;propan-2-amine.
What is the SMILES notation for (Z)-1-cyclohexa-1,5-dien-1-yl-N'-methylethene-1,2-diamine;propan-2-amine?
The canonical SMILES for (Z)-1-cyclohexa-1,5-dien-1-yl-N'-methylethene-1,2-diamine;propan-2-amine is CC(C)N.CN/C=C(\N)C1=CCCC=C1.
What is the InChIKey of (Z)-1-cyclohexa-1,5-dien-1-yl-N'-methylethene-1,2-diamine;propan-2-amine?
The InChIKey is JVXJEXZFQDIBBM-VILQZVERSA-N. The full InChI is InChI=1S/C9H14N2.C3H9N/c1-11-7-9(10)8-5-3-2-4-6-8;1-3(2)4/h3,5-7,11H,2,4,10H2,1H3;3H,4H2,1-2H3/b9-7-;.
What are the key properties of (Z)-1-cyclohexa-1,5-dien-1-yl-N'-methylethene-1,2-diamine;propan-2-amine?
(Z)-1-cyclohexa-1,5-dien-1-yl-N'-methylethene-1,2-diamine;propan-2-amine has a molecular weight of 209.34 g/mol, XLogP of 1.64, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-cyclohexa-1,5-dien-1-yl-N'-methylethene-1,2-diamine;propan-2-amine is sourced from PubChem (CID 143111173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).