N-methyl-N-[2-methyl-1-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]penta-1,3-dienyl]cyclopropanamine

C17H22N2 — CID 90995027

IUPACN-methyl-N-[2-methyl-1-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]penta-1,3-dienyl]cyclopropanamine
SMILESC=C1C=CC=CC1=NC(=C(C)C=CC)N(C)C1CC1
InChIInChI=1S/C17H22N2/c1-5-8-14(3)17(19(4)15-11-12-15)18-16-10-7-6-9-13(16)2/h5-10,15H,2,11-12H2,1,3-4H3
InChIKeyUONFDNMMPDBRCY-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.01
Rot. Bonds4

About N-methyl-N-[2-methyl-1-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]penta-1,3-dienyl]cyclopropanamine

N-methyl-N-[2-methyl-1-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]penta-1,3-dienyl]cyclopropanamine (PubChem CID 90995027) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-methyl-N-[2-methyl-1-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]penta-1,3-dienyl]cyclopropanamine.

Molecular Properties

Compound NameN-methyl-N-[2-methyl-1-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]penta-1,3-dienyl]cyclopropanamine
PubChem CID90995027
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-methyl-N-[2-methyl-1-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]penta-1,3-dienyl]cyclopropanamine
SMILESC=C1C=CC=CC1=NC(=C(C)C=CC)N(C)C1CC1
InChIInChI=1S/C17H22N2/c1-5-8-14(3)17(19(4)15-11-12-15)18-16-10-7-6-9-13(16)2/h5-10,15H,2,11-12H2,1,3-4H3
InChIKeyUONFDNMMPDBRCY-UHFFFAOYSA-N
XLogP4.01
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropyl-2-fluoro-2H-quinazoline
CID 174879028
(2S)-3-cyclopropyl-2-fluoro-2H-quinazoline
CID 174879475
N-methyl-N-[(1E,3E)-2-methyl-1-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]penta-1,3-dienyl]cyclopropanamine
CID 88224957
N-ethyl-N-methyl-3-[(1E)-2-methylbuta-1,3-dienyl]-2H-azirin-2-amine
CID 90904599
N-cyclopropyl-N-methyl-3-prop-1-enyl-2-azabicyclo[6.4.0]dodeca-1,3,6,7,9,11-hexaen-4-amine
CID 90937480
(1Z)-1-(6-ethyliminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethyl-1-(methylideneamino)methanamine
CID 142230850
2-chloro-3-cyclopropyl-2H-quinazoline
CID 153942562
3-cyclopropyl-2H-quinazoline
CID 153959896
N,7-dimethyl-6-[(Z)-prop-1-enyl]-N-propyl-2H-1,4-diazepin-5-amine
CID 170275189
N-methyl-N-[(1E,3E)-2-methyl-1-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]penta-1,3-dienyl]cyclopropanamine
CID 173283600
(1Z)-N,N-dimethyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-[[(E)-pent-3-en-2-ylidene]amino]methanamine
CID 173503722
N-[cyclohepta-1,4,6-trien-1-yl-[[(3E,5Z)-3-methylhepta-3,5-dien-2-ylidene]amino]methyl]-N-methylcyclohexa-1,5-dien-1-amine
CID 173782928

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-methyl-1-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]penta-1,3-dienyl]cyclopropanamine?
The IUPAC name of N-methyl-N-[2-methyl-1-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]penta-1,3-dienyl]cyclopropanamine (CID 90995027) is N-methyl-N-[2-methyl-1-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]penta-1,3-dienyl]cyclopropanamine.
What is the SMILES notation for N-methyl-N-[2-methyl-1-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]penta-1,3-dienyl]cyclopropanamine?
The canonical SMILES for N-methyl-N-[2-methyl-1-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]penta-1,3-dienyl]cyclopropanamine is C=C1C=CC=CC1=NC(=C(C)C=CC)N(C)C1CC1.
What is the InChIKey of N-methyl-N-[2-methyl-1-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]penta-1,3-dienyl]cyclopropanamine?
The InChIKey is UONFDNMMPDBRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-5-8-14(3)17(19(4)15-11-12-15)18-16-10-7-6-9-13(16)2/h5-10,15H,2,11-12H2,1,3-4H3.
What are the key properties of N-methyl-N-[2-methyl-1-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]penta-1,3-dienyl]cyclopropanamine?
N-methyl-N-[2-methyl-1-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]penta-1,3-dienyl]cyclopropanamine has a molecular weight of 254.38 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-methyl-1-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]penta-1,3-dienyl]cyclopropanamine is sourced from PubChem (CID 90995027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).