N,N,N',N'-tetramethyl-1-[3-(propan-2-ylideneamino)cyclopenta-2,4-dien-1-ylidene]methanediamine

C13H21N3 — CID 134987383

IUPACN,N,N',N'-tetramethyl-1-[3-(propan-2-ylideneamino)cyclopenta-2,4-dien-1-ylidene]methanediamine
SMILESCC(C)=NC1=CC(=C(N(C)C)N(C)C)C=C1
InChIInChI=1S/C13H21N3/c1-10(2)14-12-8-7-11(9-12)13(15(3)4)16(5)6/h7-9H,1-6H3
InChIKeyDOVVSEIZCFOLMU-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.26
Rot. Bonds3

About N,N,N',N'-tetramethyl-1-[3-(propan-2-ylideneamino)cyclopenta-2,4-dien-1-ylidene]methanediamine

N,N,N',N'-tetramethyl-1-[3-(propan-2-ylideneamino)cyclopenta-2,4-dien-1-ylidene]methanediamine (PubChem CID 134987383) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N,N,N',N'-tetramethyl-1-[3-(propan-2-ylideneamino)cyclopenta-2,4-dien-1-ylidene]methanediamine.

Molecular Properties

Compound NameN,N,N',N'-tetramethyl-1-[3-(propan-2-ylideneamino)cyclopenta-2,4-dien-1-ylidene]methanediamine
PubChem CID134987383
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN,N,N',N'-tetramethyl-1-[3-(propan-2-ylideneamino)cyclopenta-2,4-dien-1-ylidene]methanediamine
SMILESCC(C)=NC1=CC(=C(N(C)C)N(C)C)C=C1
InChIInChI=1S/C13H21N3/c1-10(2)14-12-8-7-11(9-12)13(15(3)4)16(5)6/h7-9H,1-6H3
InChIKeyDOVVSEIZCFOLMU-UHFFFAOYSA-N
XLogP2.26
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(3Z)-N,N-dimethyl-5-methyliminohexa-1,3-dien-2-amine
CID 155030395
[(3E,5E,7E)-8-(dimethylamino)-5-methylnona-3,5,7-trien-2-ylidene]-dimethylazanium
CID 12397173
(2E)-4-ethenyl-2-ethylidene-1-methyl-6-prop-1-en-2-ylpyrimidine
CID 143342976
(2E)-6-but-1-en-2-yl-4-ethenyl-1-methyl-2-prop-2-enylidenepyrimidine
CID 143343107
6-But-1-en-2-yl-4-ethenyl-1-methyl-2-methylidenepyrimidine
CID 143345366
(2E)-1-methyl-4,6-bis(prop-1-en-2-yl)-2-prop-2-enylidenepyrimidine
CID 143347291

Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetramethyl-1-[3-(propan-2-ylideneamino)cyclopenta-2,4-dien-1-ylidene]methanediamine?
The IUPAC name of N,N,N',N'-tetramethyl-1-[3-(propan-2-ylideneamino)cyclopenta-2,4-dien-1-ylidene]methanediamine (CID 134987383) is N,N,N',N'-tetramethyl-1-[3-(propan-2-ylideneamino)cyclopenta-2,4-dien-1-ylidene]methanediamine.
What is the SMILES notation for N,N,N',N'-tetramethyl-1-[3-(propan-2-ylideneamino)cyclopenta-2,4-dien-1-ylidene]methanediamine?
The canonical SMILES for N,N,N',N'-tetramethyl-1-[3-(propan-2-ylideneamino)cyclopenta-2,4-dien-1-ylidene]methanediamine is CC(C)=NC1=CC(=C(N(C)C)N(C)C)C=C1.
What is the InChIKey of N,N,N',N'-tetramethyl-1-[3-(propan-2-ylideneamino)cyclopenta-2,4-dien-1-ylidene]methanediamine?
The InChIKey is DOVVSEIZCFOLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10(2)14-12-8-7-11(9-12)13(15(3)4)16(5)6/h7-9H,1-6H3.
What are the key properties of N,N,N',N'-tetramethyl-1-[3-(propan-2-ylideneamino)cyclopenta-2,4-dien-1-ylidene]methanediamine?
N,N,N',N'-tetramethyl-1-[3-(propan-2-ylideneamino)cyclopenta-2,4-dien-1-ylidene]methanediamine has a molecular weight of 219.33 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetramethyl-1-[3-(propan-2-ylideneamino)cyclopenta-2,4-dien-1-ylidene]methanediamine is sourced from PubChem (CID 134987383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).