1-N-methyl-1-N-[(3Z)-4-methyl-6-(methylamino)hexa-1,3-dien-2-yl]cyclopenta-1,3-diene-1,2-diamine

C14H23N3 — CID 134288758

IUPAC1-N-methyl-1-N-[(3Z)-4-methyl-6-(methylamino)hexa-1,3-dien-2-yl]cyclopenta-1,3-diene-1,2-diamine
SMILESC=C(/C=C(/C)CCNC)N(C)C1=C(N)C=CC1
InChIInChI=1S/C14H23N3/c1-11(8-9-16-3)10-12(2)17(4)14-7-5-6-13(14)15/h5-6,10,16H,2,7-9,15H2,1,3-4H3/b11-10-
InChIKeyDIIFKGSPIYARNW-KHPPLWFESA-N
MW233.36 g/mol
LogP2.12
Rot. Bonds6

About 1-N-methyl-1-N-[(3Z)-4-methyl-6-(methylamino)hexa-1,3-dien-2-yl]cyclopenta-1,3-diene-1,2-diamine

1-N-methyl-1-N-[(3Z)-4-methyl-6-(methylamino)hexa-1,3-dien-2-yl]cyclopenta-1,3-diene-1,2-diamine (PubChem CID 134288758) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-N-methyl-1-N-[(3Z)-4-methyl-6-(methylamino)hexa-1,3-dien-2-yl]cyclopenta-1,3-diene-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-[(3Z)-4-methyl-6-(methylamino)hexa-1,3-dien-2-yl]cyclopenta-1,3-diene-1,2-diamine
PubChem CID134288758
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-N-methyl-1-N-[(3Z)-4-methyl-6-(methylamino)hexa-1,3-dien-2-yl]cyclopenta-1,3-diene-1,2-diamine
SMILESC=C(/C=C(/C)CCNC)N(C)C1=C(N)C=CC1
InChIInChI=1S/C14H23N3/c1-11(8-9-16-3)10-12(2)17(4)14-7-5-6-13(14)15/h5-6,10,16H,2,7-9,15H2,1,3-4H3/b11-10-
InChIKeyDIIFKGSPIYARNW-KHPPLWFESA-N
XLogP2.12
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-[(3Z)-4-methyl-6-(methylamino)hexa-1,3-dien-2-yl]cyclopenta-1,3-diene-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-[(3Z)-4-methyl-6-(methylamino)hexa-1,3-dien-2-yl]cyclopenta-1,3-diene-1,2-diamine (CID 134288758) is 1-N-methyl-1-N-[(3Z)-4-methyl-6-(methylamino)hexa-1,3-dien-2-yl]cyclopenta-1,3-diene-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-[(3Z)-4-methyl-6-(methylamino)hexa-1,3-dien-2-yl]cyclopenta-1,3-diene-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-[(3Z)-4-methyl-6-(methylamino)hexa-1,3-dien-2-yl]cyclopenta-1,3-diene-1,2-diamine is C=C(/C=C(/C)CCNC)N(C)C1=C(N)C=CC1.
What is the InChIKey of 1-N-methyl-1-N-[(3Z)-4-methyl-6-(methylamino)hexa-1,3-dien-2-yl]cyclopenta-1,3-diene-1,2-diamine?
The InChIKey is DIIFKGSPIYARNW-KHPPLWFESA-N. The full InChI is InChI=1S/C14H23N3/c1-11(8-9-16-3)10-12(2)17(4)14-7-5-6-13(14)15/h5-6,10,16H,2,7-9,15H2,1,3-4H3/b11-10-.
What are the key properties of 1-N-methyl-1-N-[(3Z)-4-methyl-6-(methylamino)hexa-1,3-dien-2-yl]cyclopenta-1,3-diene-1,2-diamine?
1-N-methyl-1-N-[(3Z)-4-methyl-6-(methylamino)hexa-1,3-dien-2-yl]cyclopenta-1,3-diene-1,2-diamine has a molecular weight of 233.36 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-[(3Z)-4-methyl-6-(methylamino)hexa-1,3-dien-2-yl]cyclopenta-1,3-diene-1,2-diamine is sourced from PubChem (CID 134288758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).